OSMO: Ontology for Simulation, Modelling, and Optimization
type: Ontology
bibliographic citation: 10.1021/acs.jced.9b00739
contributor: Gianluca Boccardo (ORCID 0000-0003-1264-8237)
contributor: Paola Carbone (ORCID 0000-0001-9927-8376)
contributor: Welchy Leite Cavalcanti
contributor: Mara Chiricotto (ORCID 0000-0003-1609-5254)
contributor: Joshua D. Elliott (ORCID 0000-0002-0729-246X)
contributor: Andreas Fiseni
contributor: Gerhard Goldbeck (ORCID 0000-0002-4181-2852)
contributor: Helge Krieg
contributor: Vladimir Lobaskin (ORCID 0000-0002-5231-0639)
contributor: Philipp Neumann
contributor: Christoph Niethammer
contributor: Peter Schiffels
contributor: Daniele Toti (ORCID 0000-0002-9668-6961)
contributor: Jadran Vrabec (ORCID 0000-0002-7947-4051)
creator: Martin Thomas Horsch (ORCID 0000-0002-9464-6739)
creator: Silvia Chiacchiera (ORCID 0000-0003-0422-7870)
creator: Michael A. Seaton (ORCID 0000-0002-4708-573X)
creator: Ilian T. Todorov (ORCID 0000-0001-7275-1784)
created: 2020-11-19
description: OSMO: Ontology for Simulation, Modelling, and Optimization
license: https://creativecommons.org/licenses/by/4.0/legalcode
publisher: Virtual Materials Marketplace (VIMMP) project consortium
modified: 2022-07-03
preferred namespace prefix: osmo
version info: 1.8

materials_model_classifier
type: Class
subclass of: annotation
subclass of: Restriction
  on property: is sign for
  some values from: materials_model
comment: materials model classifier, i.e., a symbol for categories of materials-model related entities, following RoMM (note: these are descriptors, not identical with the described entities)

granularity_level
type: Class
subclass of: materials_model_classifier
one of: ELECTRONIC
one of: ATOMISTIC
one of: MESOSCOPIC
one of: CONTINUUM
comment: granularity level (from RoMM), i.e., electronic, atomistic, mesoscopic, or continuum level according to RoMM

ELECTRONIC
type: granularity_level
comment: granularity level label: electronic materials modelling

ATOMISTIC
type: granularity_level
comment: granularity level label: atomistic materials modelling

MESOSCOPIC
type: granularity_level
comment: granularity level label: mesoscopic materials modelling

CONTINUUM
type: granularity_level
comment: granularity level label: continuum materials modelling

physical_equation_type
type: Class
subclass of: materials_model_classifier
comment: physical equation type, i.e., a symbol referring to the physical equation underlying a model, mostly following RoMM (n.b., these entities are not models, they are descriptors of models)
subclass of: Restriction
  on property: has_granularity_level
  cardinality: 1
subclass of: Restriction
  on property: has_pe_type_descriptor
  some values from: string
subclass of: Restriction
  on property: has_pe_type_id
  cardinality: 1
disjoint union of: pe_type_electronic
disjoint union of: pe_type_atomistic
disjoint union of: pe_type_mesoscopic
disjoint union of: pe_type_continuum

has_granularity_level
type: ObjectProperty
domain: physical_equation_type
range: granularity_level
sub property of: has meta annotation

has_mm_topic
type: ObjectProperty
domain: physical_equation_type
range: mm topic
sub property of: has meta annotation

has_pe_type_descriptor
type: DatatypeProperty
domain: physical_equation_type
range: string
sub property of: has descriptor

has_pe_type_id
type: DatatypeProperty
domain: physical_equation_type
range: string
sub property of: has standardized reference

pe_type_electronic
type: Class
subclass of: physical_equation_type
comment: electronic physical equation type, i.e., a PE type at the electronic granularity level
intersection of: physical_equation_type
intersection of: Restriction
  on property: has_granularity_level
  has value: ELECTRONIC
disjoint union of: pe_type_electronic_qm_abinitio
disjoint union of: pe_type_electronic_manybody_effective
disjoint union of: pe_type_electronic_time_dependent
disjoint union of: pe_type_electronic_charge_transport
disjoint union of: pe_type_electronic_spin_transport

pe_type_electronic_qm_abinitio
type: Class
subclass of: pe_type_electronic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type EL.1: Ab-initio quantum mechanical (or first principle) model
subclass of: Restriction
  on property: has_pe_type_id
  has value: EL.1
has_mm_topic: MM TOPIC 3120
has_mm_topic: MM TOPIC 7120
comment: RoMM model vocabulary category 1.1, OSMO PE type EL.1

pe_type_electronic_manybody_effective
type: Class
subclass of: pe_type_electronic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type EL.2: Electronic many-body and/or effective Hamiltonian model
subclass of: Restriction
  on property: has_pe_type_id
  has value: EL.2
has_mm_topic: MM TOPIC 3130
has_mm_topic: MM TOPIC 7130
comment: RoMM model vocabulary category 1.2, OSMO PE type EL.2

pe_type_electronic_time_dependent
type: Class
subclass of: pe_type_electronic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type EL.3: QM model of the response to time-dependent fields
subclass of: Restriction
  on property: has_pe_type_id
  has value: EL.3
has_mm_topic: MM TOPIC 3140
has_mm_topic: MM TOPIC 7140
comment: RoMM model vocabulary category 1.3, OSMO PE type EL.3

pe_type_electronic_charge_transport
type: Class
subclass of: pe_type_electronic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type EL.4: Statistical charge transport model
subclass of: Restriction
  on property: has_pe_type_id
  has value: EL.4
has_mm_topic: MM TOPIC 3150
has_mm_topic: MM TOPIC 7150
comment: RoMM model vocabulary category 1.4, OSMO PE type EL.4

pe_type_electronic_spin_transport
type: Class
subclass of: pe_type_electronic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type EL.5: Statistical electron spin transport model
subclass of: Restriction
  on property: has_pe_type_id
  has value: EL.5
has_mm_topic: MM TOPIC 3160
has_mm_topic: MM TOPIC 7160
comment: RoMM model vocabulary category 1.5, OSMO PE type EL.5

pe_type_atomistic
type: Class
subclass of: physical_equation_type
comment: atomistic physical equation type, i.e., a PE type that at the atomistic granularity level
intersection of: physical_equation_type
intersection of: Restriction
  on property: has_granularity_level
  has value: ATOMISTIC
disjoint union of: pe_type_atomistic_density_functional
disjoint union of: pe_type_atomistic_molecular_statics
disjoint union of: pe_type_atomistic_molecular_dynamics
disjoint union of: pe_type_atomistic_partition_function
disjoint union of: pe_type_atomistic_spin_model
disjoint union of: pe_type_atomistic_statistical_transport

pe_type_atomistic_density_functional
type: Class
subclass of: pe_type_atomistic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type A.1: Classical-mechanical density functional theory (atomistic)
subclass of: Restriction
  on property: has_pe_type_id
  has value: A.1
has_mm_topic: MM TOPIC 3222
has_mm_topic: MM TOPIC 7222
comment: RoMM model vocabulary category 2.1, OSMO PE type A.1

pe_type_atomistic_molecular_statics
type: Class
subclass of: pe_type_atomistic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type A.2: Molecular statics (atomistic), energy minimization
subclass of: Restriction
  on property: has_pe_type_id
  has value: A.2
has_mm_topic: MM TOPIC 3232
has_mm_topic: MM TOPIC 7232
comment: RoMM model vocabulary category 2.2, OSMO PE type A.2

pe_type_atomistic_molecular_dynamics
type: Class
subclass of: pe_type_atomistic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type A.3: Molecular dynamics (atomistic)
subclass of: Restriction
  on property: has_pe_type_id
  has value: A.3
has_mm_topic: MM TOPIC 3242
has_mm_topic: MM TOPIC 7242
comment: RoMM model vocabulary category 2.3, OSMO PE type A.3

pe_type_atomistic_partition_function
type: Class
subclass of: pe_type_atomistic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
subclass of: Restriction
  on property: has_pe_type_id
  has value: A.4
has_mm_topic: MM TOPIC 3252
has_mm_topic: MM TOPIC 7252
comment: RoMM model vocabulary category 2.4, OSMO PE type A.4

pe_type_atomistic_spin_model
type: Class
subclass of: pe_type_atomistic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type A.5: Atomistic spin model
subclass of: Restriction
  on property: has_pe_type_id
  has value: A.5
has_mm_topic: MM TOPIC 3262
has_mm_topic: MM TOPIC 7262
comment: RoMM model vocabulary category 2.5, OSMO PE type A.5

pe_type_atomistic_statistical_transport
type: Class
subclass of: pe_type_atomistic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type A.6: Statistical transport model (atomistic)
subclass of: Restriction
  on property: has_pe_type_id
  has value: A.6
has_mm_topic: MM TOPIC 3272
has_mm_topic: MM TOPIC 7272
comment: RoMM model vocabulary categories 2.6 and 2.7, OSMO PE type A.6

pe_type_mesoscopic
type: Class
subclass of: physical_equation_type
comment: mesoscopic physical equation type, i.e., a PE type at the mesoscopic granularity level
intersection of: physical_equation_type
intersection of: Restriction
  on property: has_granularity_level
  has value: MESOSCOPIC
disjoint union of: pe_type_mesoscopic_density_functional
disjoint union of: pe_type_mesoscopic_molecular_statics
disjoint union of: pe_type_mesoscopic_molecular_dynamics
disjoint union of: pe_type_mesoscopic_partition_function
disjoint union of: pe_type_mesoscopic_micromagnetism
disjoint union of: pe_type_mesoscopic_statistical_transport

pe_type_mesoscopic_density_functional
type: Class
subclass of: pe_type_mesoscopic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type M.1: Classical-mechanical density functional theory (mesoscopic)
subclass of: Restriction
  on property: has_pe_type_id
  has value: M.1
has_mm_topic: MM TOPIC 3225
has_mm_topic: MM TOPIC 7225
comment: RoMM model vocabulary category 3.1, OSMO PE type M.1

pe_type_mesoscopic_molecular_statics
type: Class
subclass of: pe_type_mesoscopic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
subclass of: Restriction
  on property: has_pe_type_id
  has value: M.2
has_mm_topic: MM TOPIC 3235
has_mm_topic: MM TOPIC 7235
comment: OSMO PE type M.2

pe_type_mesoscopic_molecular_dynamics
type: Class
subclass of: pe_type_mesoscopic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
subclass of: Restriction
  on property: has_pe_type_id
  has value: M.3
has_mm_topic: MM TOPIC 3245
has_mm_topic: MM TOPIC 7245
comment: RoMM model vocabulary category 3.2, OSMO PE type M.3

pe_type_mesoscopic_partition_function
type: Class
subclass of: pe_type_mesoscopic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
subclass of: Restriction
  on property: has_pe_type_id
  has value: M.4
has_mm_topic: MM TOPIC 3255
has_mm_topic: MM TOPIC 7255
comment: RoMM model vocabulary category 3.3, OSMO PE type M.4

pe_type_mesoscopic_micromagnetism
type: Class
subclass of: pe_type_mesoscopic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type M.5: Micromagnetism model
subclass of: Restriction
  on property: has_pe_type_id
  has value: M.5
has_mm_topic: MM TOPIC 3265
has_mm_topic: MM TOPIC 7265
comment: RoMM model vocabulary category 3.4, OSMO PE type M.5

pe_type_mesoscopic_statistical_transport
type: Class
subclass of: pe_type_mesoscopic
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type M.6: Statistical transport model (mesoscopic)
subclass of: Restriction
  on property: has_pe_type_id
  has value: M.6
has_mm_topic: MM TOPIC 3275
has_mm_topic: MM TOPIC 7275
comment: RoMM model vocabulary categories 3.5, OSMO PE type M.6

pe_type_continuum
type: Class
subclass of: physical_equation_type
comment: continuum physical equation type, i.e., a PE type that operates at the continuum granularity level
intersection of: physical_equation_type
intersection of: Restriction
  on property: has_granularity_level
  has value: CONTINUUM
disjoint union of: pe_type_continuum_solid_mechanics
disjoint union of: pe_type_continuum_fluid_mechanics
disjoint union of: pe_type_continuum_heat_transfer
disjoint union of: pe_type_continuum_phase_field
disjoint union of: pe_type_continuum_thermodynamics
disjoint union of: pe_type_continuum_reaction_kinetics
disjoint union of: pe_type_continuum_electromagnetism
disjoint union of: pe_type_continuum_process_model

pe_type_continuum_solid_mechanics
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.1: Continuum solid mechanics
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.1
has_mm_topic: MM TOPIC 3320
has_mm_topic: MM TOPIC 7320
comment: RoMM model vocabulary category 4.1, OSMO PE type CO.1

pe_type_continuum_fluid_mechanics
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.2: Continuum fluid mechanics
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.2
has_mm_topic: MM TOPIC 3330
has_mm_topic: MM TOPIC 7330
comment: RoMM model vocabulary category 4.2, OSMO PE type CO.2

pe_type_continuum_heat_transfer
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.3: Continuum modelling of heat transfer and thermomechanics
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.3
has_mm_topic: MM TOPIC 3340
has_mm_topic: MM TOPIC 7340
comment: RoMM model vocabulary category 4.3, OSMO PE type CO.3

pe_type_continuum_phase_field
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.4: Phase field model or continuum density gradient theory
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.4
has_mm_topic: MM TOPIC 3350
has_mm_topic: MM TOPIC 7350
comment: RoMM model vocabulary category 4.4.2, OSMO PE type CO.4

pe_type_continuum_thermodynamics
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.5: Continuum thermodynamics
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.5
has_mm_topic: MM TOPIC 3360
has_mm_topic: MM TOPIC 7360
comment: RoMM model vocabulary category 4.4.1, OSMO PE type CO.5

pe_type_continuum_reaction_kinetics
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.6: Continuum modelling of chemical reaction kinetics
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.6
has_mm_topic: MM TOPIC 3370
has_mm_topic: MM TOPIC 7370
comment: RoMM model vocabulary category 4.5, OSMO PE type CO.6

pe_type_continuum_electromagnetism
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.7
has_mm_topic: MM TOPIC 3380
has_mm_topic: MM TOPIC 7380
comment: RoMM model vocabulary category 4.6, OSMO PE type CO.7

pe_type_continuum_process_model
type: Class
subclass of: pe_type_continuum
subclass of: Restriction
  on property: has_pe_type_descriptor
  has value: PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
subclass of: Restriction
  on property: has_pe_type_id
  has value: CO.8
has_mm_topic: MM TOPIC 3390
has_mm_topic: MM TOPIC 7390
comment: RoMM model vocabulary category 4.7, OSMO PE type CO.8

workflow_resource
type: Class
subclass of: marketplace related entity
disjoint with: logical_term
disjoint with: logical_access
disjoint with: section_aspect
comment: workflow resource, i.e., a workflow entity that can be contained as a node-like element or as a subgraph by a workflow graph
disjoint union of: logical_resource
disjoint union of: section
disjoint union of: workflow_graph

has_resource_label
type: DatatypeProperty
domain: marketplace related entity
range: string
comment: label to be used, e.g., in graph representations and for other visualization purposes
sub property of: has label

virtual_graph
type: Class
subclass of: workflow_graph
subclass of: Restriction
  on property: is_concrete
  has value: false
intersection of: workflow_graph
intersection of: Restriction
  on property: is_virtual
  has value: true
comment: virtual graph, i.e., a workflow graph that is variably instantiated based on workflow-dependent quantities; e.g., a virtual graph might be instantiated multiple times in parallel or sequentially, or the way in which it is instantiated might qualitatively depend on input parameters in a significant way, going beyond the conventional role of an input parameter (n.b., virtual graphs do not contain anything; instead, they are instantiated by concrete graphs that contain further elements)

contingent_graph
type: Class
subclass of: virtual_graph
comment: contingent graph, i.e., a virtual graph that is only present/active if one or multiple conditions are fulfilled
subclass of: Restriction
  on property: is_contingent_on
  some values from: condition

is_contingent_on
type: ObjectProperty
domain: contingent_graph
range: condition
sub property of: has symbolic part of sign
comment: whenever one or several conditions are not fulfilled, a resource that is contingent on them is absent/inactive

indexed_graph
type: Class
subclass of: virtual_graph
comment: indexed graph, i.e., a virtual graph that is instantiated multiple times, with an index
subclass of: Restriction
  on property: has_index
  cardinality: 1
subclass of: Restriction
  on property: has_index_value
  min cardinality: 2

has_coupled_instances
type: DatatypeProperty
domain: indexed_graph
range: boolean
comment: indicates whether any of the multiple instantiations of this resource are coupled (synchronized) with each other
sub property of: has flag

has_linked_instances
type: DatatypeProperty
domain: indexed_graph
range: boolean
comment: indicates whether any of the multiple instantiations of this resource are sequentially linked to each other
sub property of: has flag

has_index
type: ObjectProperty
domain: indexed_graph
range: logical_variable
sub property of: has proper part
comment: points to the logical variable/index to which multiple values are assigned

has_index_unit
type: ObjectProperty
type: FunctionalProperty
domain: indexed_graph
range: unit
comment: unit in which the index values are given (not required; in many typical cases, the index is dimensionless)
sub property of: has annotation

has_index_value
type: DatatypeProperty
domain: indexed_graph
range: decimal
comment: points to each of the multiple values that are given to the index
sub property of: has numerical content

section
type: Class
subclass of: workflow_resource
disjoint with: section_aspect
comment: section, i.e., a simulation overview, application case, model, solver, or processor (as in MODA)
disjoint union of: simulation_overview
disjoint union of: application_case
disjoint union of: materials_model
disjoint union of: solver
disjoint union of: processor

has_internal_lv
type: ObjectProperty
domain: section
range: logical_variable
sub property of: has symbolic part of sign
comment: points to information that plays a role within the respective OSMO/MODA section

has_input_format
type: ObjectProperty
domain: section
range: io format
sub property of: has_io_format
property chain axiom: has_logical_input
property chain axiom: is_encoded_by

has_io_format
type: ObjectProperty
domain: section
range: io format
comment: points to a format employed for I/O in the technical implementation of the respective OSMO/MODA section
sub property of: has annotation
property chain axiom: has_logical_io
property chain axiom: is_encoded_by

has_logical_input
type: ObjectProperty
domain: section
range: logical_variable
comment: points to information that needs to be provided
sub property of: has_logical_io

has_logical_io
type: ObjectProperty
domain: section
range: logical_variable
sub property of: has symbolic part of sign
comment: points to information required or produced by a OSMO/MODA section

has_logical_output
type: ObjectProperty
domain: section
range: logical_variable
comment: points to information that is obtained as a result from the respective OSMO/MODA section
sub property of: has_logical_io

has_output_format
type: ObjectProperty
domain: section
range: io format
sub property of: has_io_format
property chain axiom: has_logical_output
property chain axiom: is_encoded_by

has_section_label
type: DatatypeProperty
domain: section
range: string
sub property of: has_resource_label

has_physical_input
type: ObjectProperty
domain: section
range: logical_variable
range: material property
sub property of: has_logical_input
comment: points to required physical (thermodynamic or mechanical) information, which needs to be provided, e.g., from the output of another OSMO/MODA section

has_internal_mp
type: ObjectProperty
domain: section
range: logical_variable
range: material property
sub property of: has_internal_lv
comment: points to physical information that plays a role within the respective OSMO/MODA section

has_physical_output
type: ObjectProperty
domain: section
range: logical_variable
range: material property
sub property of: has_logical_output
comment: points to desired physical (thermodynamic or mechanical) information which is obtained as a result from the respective OSMO/MODA section

has_aspect
type: ObjectProperty
domain: section
range: section_aspect
comment: points to an aspect associated with the respective OSMO/MODA section
sub property of: has symbolic part of sign

has_boundary_condition
type: ObjectProperty
domain: section
range: boundary_condition
sub property of: has_aspect

has_employed_software
type: ObjectProperty
domain: section
range: software
sub property of: has_aspect

has_error_statement
type: ObjectProperty
domain: section
range: error_statement
sub property of: has symbolic part of sign

has_geometry_information
type: ObjectProperty
domain: section
range: geometry_information
sub property of: has_boundary_condition

has_material_information
type: ObjectProperty
domain: section
range: material_information
sub property of: has_aspect

has_method_type
type: ObjectProperty
domain: section
range: method_type
sub property of: has_aspect

has_section_description
type: ObjectProperty
domain: section
range: section_description
sub property of: has_aspect

has_section_literature
type: ObjectProperty
domain: section
range: section_literature
sub property of: has_aspect

has_section_parameter
type: ObjectProperty
domain: section
range: parameter_aspect
sub property of: has_aspect

has_temporal_discretization
type: ObjectProperty
domain: section
range: temporal_discretization
sub property of: has_aspect

has_timespan
type: ObjectProperty
domain: section
range: timespan_information
sub property of: has_aspect

applies_to
type: ObjectProperty
domain: section
domain: Class
  union of: simulation_overview
  union of: use_case
  union of: materials_model
range: workflow_graph
sub property of: shares a sign with
comment: points to the workflow (sub)graph to which a particular use case or materials model applies
inverse of: considers

section_aspect
type: Class
subclass of: marketplace related entity
comment: section aspect, i.e., a descriptor of an application case, model, solver, or processor that can be represented by a section
disjoint union of: simulation_overview_aspect
disjoint union of: application_case_aspect
disjoint union of: model_aspect
disjoint union of: solver_aspect
disjoint union of: processor_aspect

has_aspect_text_content
type: DatatypeProperty
domain: section_aspect
range: string
comment: plain-text description of an aspect/subsection (as in MODA)
sub property of: has textual content

has_aspect_scalar_content
type: DatatypeProperty
domain: section_aspect
range: decimal
comment: numerical value associated with an aspect/subsection (as in MODA)
sub property of: has numerical content

has_aspect_object_content
type: ObjectProperty
domain: section_aspect
range: marketplace related entity
sub property of: mereosemiotics hp is
comment: points to an object associated with an aspect/subsection
inverse of: is_aspect_content_of

has_aspect_annotation_content
type: ObjectProperty
domain: section_aspect
range: annotation
comment: points to an annotation object (i.e., a non-paradigmatic object) associated with an aspect/subsection
sub property of: has meta annotation
sub property of: has_aspect_object_content

has_aspect_paradigmatic_content
type: ObjectProperty
domain: section_aspect
range: paradigmatic entity
comment: points to a paradigmatic object associated with an aspect/subsection
sub property of: has_aspect_object_content

is_aspect_content_of
type: ObjectProperty
domain: marketplace related entity
range: section_aspect
inverse of: has_aspect_object_content
sub property of: mereosemiotics hs ip

boundary_condition
type: Class
subclass of: section_aspect
comment: boundary condition, i.e., any given information that needs to be taken into account
subclass of: Restriction
  on property: has_aspect_object_content
  some values from: condition

error_statement
type: Class
subclass of: section_aspect
comment: error statement, i.e., an aspect that contains an accuracy assertion
subclass of: Restriction
  on property: has_aspect_paradigmatic_content
  some values from: accuracy assertion

geometry_information
type: Class
subclass of: boundary_condition
comment: geometry information, i.e., geometry considered by an OSMO/MODA section

material_information
type: Class
subclass of: section_aspect
comment: material information, i.e., aspect related to the material considered by an OSMO/MODA section
subclass of: Restriction
  on property: has_aspect_paradigmatic_content
  some values from: material

has_material_information_uf
type: ObjectProperty
domain: material_information
range: material_information_uf
sub property of: has_aspect_annotation_content
sub property of: has_unit_function
comment: points to the element function associated with the present material information (an OSMO/MODA section can have multiple material informations, describing different units)

method_type
type: Class
subclass of: section_aspect
comment: method type, i.e., type and/or name information on a method employed by an OSMO/MODA section

parameter_aspect
type: Class
subclass of: section_aspect
comment: parameter aspect, i.e., an aspect characterizing a parameter associated with an OSMO/MODA section
subclass of: Restriction
  on property: has_aspect_object_content
  some values from: logical_variable

section_description
type: Class
subclass of: section_aspect
comment: section description, i.e., any descriptive-type information concerning an OSMO/MODA section

section_literature
type: Class
subclass of: section_aspect
comment: section literature, i.e., a literature reference associated with an OSMO/MODA section
subclass of: Restriction
  on property: has_aspect_paradigmatic_content
  some values from: citation

software
type: Class
subclass of: section_aspect
comment: software, i.e., an executable numerical artefact

temporal_discretization
type: Class
subclass of: section_aspect
comment: temporal discretization, i.e., temporal discretization approach conceptually underlying an OSMO/MODA section

timespan_information
type: Class
subclass of: section_aspect
comment: time span information, i.e., statement on the time interval considered, modelled, or represented by an OSMO/MODA section

simulation_overview
type: Class
subclass of: section
subclass of: annotation
comment: simulation overview (as in MODA)
subclass of: Restriction
  on property: applies_to
  all values from: simulation_workflow
subclass of: Restriction
  on property: applies_to
  cardinality: 1
subclass of: Restriction
  on property:
    inverse of: has_simulation_overview
  cardinality: 1

has_simulation_overview_aspect
type: ObjectProperty
domain: simulation_overview
range: simulation_overview_aspect
sub property of: has_aspect
sub property of: has meta annotation
comment: points to an aspect of a simulation overview (following MODA)

has_overview_use_case_description
type: ObjectProperty
domain: simulation_overview
range: overview_use_case_description
sub property of: has_simulation_overview_aspect
comment: MODA cover sheet, aspect 1

has_overview_model_description
type: ObjectProperty
domain: simulation_overview
range: overview_model_description
sub property of: has_simulation_overview_aspect
comment: MODA cover sheet, aspect 2

has_overview_literature
type: ObjectProperty
domain: simulation_overview
range: overview_literature
sub property of: has_simulation_overview_aspect
sub property of: has_section_literature
comment: MODA cover sheet, aspect 3

has_overview_access_conditions
type: ObjectProperty
domain: simulation_overview
range: overview_access_conditions
sub property of: has_simulation_overview_aspect
comment: MODA cover sheet, aspect 4

has_overview_rationale
type: ObjectProperty
domain: simulation_overview
range: overview_rationale
sub property of: has_simulation_overview_aspect
comment: MODA cover sheet, aspect 5

simulation_overview_aspect
type: Class
subclass of: section_aspect
comment: Simulation overview aspect, i.e., an aspect of a simulation overview (as specified in the MODA cover page)

overview_use_case_description
type: Class
subclass of: simulation_overview_aspect
comment: General description of the use case (MODA cover page, aspect 1), to be provided as plain-text content

overview_model_description
type: Class
subclass of: simulation_overview_aspect
comment: General description of the chain of models (MODA cover page, aspect 2), to be provided as plain-text content; n.b., the detailed workflow and specification of how exactly the models are connected should be provided in terms of OSMO/LDT workflow notation. Here, it is appropriate to provide only a summary in text form.

overview_literature
type: Class
subclass of: simulation_overview_aspect
subclass of: section_literature
comment: publication that documents data pertaining to the present simulation workflow (MODA cover page, aspect 3)

overview_access_conditions
type: Class
subclass of: simulation_overview_aspect
comment: Access conditions - MODA cover page, aspect 4: Please list whether the model and/or data are free, commercial or open source. Please list the owner and the name of the software or database (including web link if available).

overview_rationale
type: Class
subclass of: simulation_overview_aspect
comment: Rationale - MODA cover page, aspect 5: Please give a textual rationale of why you as a modeller have chosen these models and this workflow. This should include the reason why a particular aspect of the user case is to be simulated with a particular model.

application_case
type: Class
subclass of: annotation
subclass of: section
comment: application case, i.e., a scenario, point of view, or subjective or negotiated set of aims
disjoint union of: business case
disjoint union of: industrial case
disjoint union of: translation case
disjoint union of: use_case

has_application_case_aspect
type: ObjectProperty
domain: application_case
range: application_case_aspect
sub property of: has_aspect
sub property of: has meta annotation
comment: points to an application-case aspect (as in MODA or extensions of MODA)

has_application_case_summary
type: DatatypeProperty
domain: application_case
range: string
comment: plain-text summary of the application case
sub property of: has textual content

is_addressed_by
type: ObjectProperty
domain: application_case
range: mm project
sub property of: mereosemiotics is hp ip
inverse of: addresses
comment: points to a materials modelling project that addresses the present application case

has_case_decision_support
type: ObjectProperty
domain: application_case
range: application_case_decision_support
sub property of: has_application_case_aspect
comment: points to information on the application decision support system

use_case
type: Class
subclass of: application_case
comment: use case (i.e., in MODA: 'user case')
subclass of: Restriction
  on property: has_use_case_material
  some values from: use_case_material

has_use_case_summary
type: DatatypeProperty
domain: use_case
range: string
sub property of: has_application_case_summary
comment: plain-text summary of the MODA/OSMO use case
sub property of: has textual content

has_use_case_aspect
type: ObjectProperty
domain: use_case
range: use_case_aspect
sub property of: has_application_case_aspect
comment: points to a use-case aspect (as in MODA)

has_use_case_description
type: ObjectProperty
domain: use_case
range: use_case_description
sub property of: has_use_case_aspect
sub property of: has_section_description
comment: MODA subsection 1.1

has_use_case_material
type: ObjectProperty
domain: use_case
range: use_case_material
sub property of: has_use_case_aspect
sub property of: has_material_information
comment: MODA subsection 1.2

has_use_case_geometry
type: ObjectProperty
domain: use_case
range: use_case_geometry
sub property of: has_use_case_boundary_condition
sub property of: has_geometry_information
comment: MODA subsection 1.3

has_use_case_timespan
type: ObjectProperty
domain: use_case
range: use_case_timespan
sub property of: has_use_case_aspect
sub property of: has_timespan
comment: MODA subsection 1.4

has_use_case_boundary_condition
type: ObjectProperty
domain: use_case
range: use_case_boundary_condition
sub property of: has_use_case_aspect
sub property of: has_boundary_condition
comment: MODA subsection 1.5

has_use_case_literature
type: ObjectProperty
domain: use_case
range: use_case_literature
sub property of: has_use_case_aspect
sub property of: has_section_literature
comment: MODA subsection 1.6

has_use_case_decision_support
type: ObjectProperty
domain: use_case
range: use_case_decision_support
sub property of: has_use_case_aspect
sub property of: has_case_decision_support
comment: points to information on the use-case decision support system (UDSS)

application_case_aspect
type: Class
subclass of: section_aspect
comment: application-case aspect (similar as in MODA or extensions of MODA)
disjoint union of: bc aspect
disjoint union of: ic aspect
disjoint union of: tc aspect
disjoint union of: use_case_aspect

application_case_decision_support
type: Class
subclass of: application_case_aspect
comment: information on the decision support system
subclass of: Restriction
  on property: has_aspect_paradigmatic_content
  some values from: application_decision_support_system

use_case_aspect
type: Class
subclass of: application_case_aspect
comment: use-case aspect (similar as in MODA)

use_case_description
type: Class
subclass of: use_case_aspect
subclass of: section_description
subclass of: Restriction
  on property: has_aspect_text_content
  some values from: string
comment: use-case description (MODA subsection 1.1), describes aspects of a use case textually

use_case_material
type: Class
subclass of: use_case_aspect
subclass of: material_information
comment: use-case material information (MODA subsection 1.2), characterizes/describes the considered material

use_case_geometry
type: Class
subclass of: use_case_boundary_condition
subclass of: geometry_information
comment: use-case geometry information (MODA subsection 1.3), characterizes/describes the considered system geometry

use_case_timespan
type: Class
subclass of: use_case_aspect
subclass of: timespan_information
comment: use-case time span (MODA subsection 1.4), characterizes/describes the considered time interval

use_case_boundary_condition
type: Class
subclass of: use_case_aspect
subclass of: boundary_condition
comment: use-case boundary condition (MODA subsection 1.5), characterizes/describes a thermodynamic, spatio-temporal, or any other boundary condition

use_case_literature
type: Class
subclass of: use_case_aspect
subclass of: section_literature
comment: use-case literature (MODA subsection 1.6), cites a reference that is relevant or of interest for the use case

use_case_decision_support
type: Class
subclass of: use_case_aspect
subclass of: application_case_decision_support
comment: information on the use-case decision support system (UDSS)
subclass of: Restriction
  on property: has_aspect_paradigmatic_content
  some values from: use_case_decision_support_system

materials_model
type: Class
subclass of: section
subclass of: model
comment: materials model (as in MODA)
subclass of: Restriction
  on property: has_model_type
  some values from: model_type
subclass of: Restriction
  on property: has_model_granularity
  some values from: model_granularity
subclass of: Restriction
  on property: has_physical_equation
  some values from: physical_equation
subclass of: Restriction
  on property: has_materials_relation
  some values from: materials_relation

has_model_aspect
type: ObjectProperty
domain: materials_model
range: model_aspect
sub property of: has_aspect
sub property of: has model annotation
comment: points to an aspect associated with a materials model (as in MODA)

has_materials_model_ge
type: ObjectProperty
domain: materials_model
range: governing_equation
inverse of: is_governing_equation_in
sub property of: has_model_aspect
sub property of: has proper part

is_governing_equation_in
type: ObjectProperty
domain: governing_equation
range: materials_model
inverse of: has_materials_model_ge
sub property of: is proper part of

has_model_type
type: ObjectProperty
domain: materials_model
range: model_type
sub property of: has_model_aspect
sub property of: has_method_type
comment: MODA subsection 2.1

has_model_granularity
type: ObjectProperty
domain: materials_model
range: model_granularity
sub property of: has_model_aspect
comment: MODA subsection 2.2

has_physical_equation
type: ObjectProperty
domain: materials_model
range: physical_equation
sub property of: has_materials_model_ge
comment: MODA subsection 2.3

has_materials_relation
type: ObjectProperty
domain: materials_model
range: materials_relation
sub property of: has_materials_model_ge
comment: MODA subsection 2.4

has_model_boundary_condition
type: ObjectProperty
domain: materials_model
range: model_boundary_condition
sub property of: has_model_aspect
sub property of: has_boundary_condition
comment: MODA subsection 2.5

has_model_error_statement
type: ObjectProperty
domain: model
range: model_error_statement
sub property of: has_error_statement

model_aspect
type: Class
subclass of: section_aspect
comment: model aspect, i.e., an aspect of a materials model

model_type
type: Class
subclass of: model_aspect
subclass of: method_type
comment: model type (MODA subsection 2.1), characterizes/describes the model type or class or the approach to modelling that is followed
subclass of: Restriction
  on property: has_aspect_annotation_content
  some values from: physical_equation_type

model_granularity
type: Class
subclass of: model_aspect
comment: model granularity aspect (MODA subsection 2.2), characterizes the RoMM granularity level of a model
subclass of: Restriction
  on property: has_aspect_annotation_content
  some values from: granularity_level

governing_equation
type: Class
subclass of: model_aspect
subclass of: Restriction
  on property: has_aspect_object_content
  some values from: condition
comment: governing equation (GE) as defined by RoMM, i.e., a physical equation (PE) or materials relation (MR)

physical_equation
type: Class
subclass of: governing_equation
comment: physical equation (PE) as defined by RoMM, cf. MODA subsection 2.3

materials_relation
type: Class
subclass of: governing_equation
comment: materials relation (MR) as defined by RoMM, cf. MODA subsection 2.4

model_boundary_condition
type: Class
subclass of: model_aspect
subclass of: boundary_condition
comment: model boundary condition (MODA subsection 2.5), characterizes/describes a boundary condition that is applied to the model

model_error_statement
type: Class
subclass of: error_statement
comment: model error statement, characterizes/describes the error or uncertainty associated with a model

solver
type: Class
subclass of: section
subclass of: annotation
comment: solver (as in MODA)
subclass of: Restriction
  on property: has_solver_method_type
  some values from: solver_method_type
subclass of: Restriction
  on property: has_solver_software
  some values from: solver_software

has_solver_aspect
type: ObjectProperty
domain: solver
range: solver_aspect
sub property of: has_aspect
sub property of: has meta annotation
comment: points to an aspect associated with a solver

has_solver_method_type
type: ObjectProperty
domain: solver
range: solver_method_type
sub property of: has_solver_aspect
sub property of: has_method_type
comment: MODA subsection 3.1

has_solver_software
type: ObjectProperty
domain: solver
range: solver_software
sub property of: has_solver_aspect
sub property of: has_employed_software
comment: MODA subsection 3.2

has_solver_timestep
type: ObjectProperty
domain: solver
range: solver_timestep
sub property of: has_solver_aspect
sub property of: has_temporal_discretization
comment: MODA subsection 3.3

has_computational_representation
type: ObjectProperty
domain: solver
range: computational_representation
sub property of: has_solver_aspect
comment: MODA subsection 3.4

has_solver_boundary_condition
type: ObjectProperty
domain: solver
range: solver_boundary_condition
sub property of: has_solver_aspect
sub property of: has_boundary_condition
comment: MODA subsection 3.5

has_solver_parameter
type: ObjectProperty
domain: solver
range: solver_parameter
sub property of: has_solver_aspect
sub property of: has_section_parameter
comment: MODA subsection 3.6

has_solver_error_statement
type: ObjectProperty
domain: solver
range: solver_error_statement
sub property of: has_error_statement

solver_aspect
type: Class
subclass of: section_aspect
comment: MODA solver aspect, i.e., an aspect of a solver (similar to MODA)

solver_method_type
type: Class
subclass of: solver_aspect
subclass of: method_type
comment: solver method type (MODA subsection 3.1), characterizes/describes the name and type of the solver

EOS SINGLE PHASE SOLVER
type: solver_method_type
has_aspect_text_content: EOS single-phase solver

EOS PHASE EQUILIBRIUM SOLVER
type: solver_method_type
has_aspect_text_content: EOS phase-equilibrium solver

MOLECULAR DYNAMICS SOLVER
type: solver_method_type
has_aspect_text_content: molecular dynamics solver

MONTE CARLO SOLVER
type: solver_method_type
has_aspect_text_content: Monte Carlo solver

solver_software
type: Class
subclass of: solver_aspect
subclass of: software
comment: solver software (MODA subsection 3.2), characterizes/describes a code/package to be used as a solver
subclass of: Restriction
  on property: has_aspect_object_content
  some values from: software tool

solver_timestep
type: Class
subclass of: solver_aspect
subclass of: temporal_discretization
comment: solver time step (MODA subsection 3.3), numerical time step employed by the solver

computational_representation
type: Class
subclass of: solver_aspect
subclass of: Restriction
  on property: has_aspect_object_content
  some values from: condition
comment: solver computational representation (MODA subsection 3.4), characterizes/describes how the solver numerically represents the model and/or the material

computational_representation_model
type: Class
subclass of: computational_representation
comment: solver CR of the model, i.e., a computational representation of (all or part of) the governing equations of the employed materials model

computational_representation_pe
type: Class
subclass of: computational_representation_model
comment: solver CR of PE, i.e., a computational representation specifically of one or multiple physical equations (PE)

computational_representation_mr
type: Class
subclass of: computational_representation_model
comment: solver CR of MR, i.e., a computational representation specifically of one or multiple materials relations (MR)

computational_representation_material
type: Class
subclass of: computational_representation
comment: solver CR of the material, i.e., a computational representation of the considered use case or material

computational_representation_hybrid
type: Class
subclass of: computational_representation
comment: solver CR of the material, i.e., a computational representation that combines model and material (or use case) aspects

solver_boundary_condition
type: Class
subclass of: solver_aspect
subclass of: boundary_condition
comment: solver boundary condition (MODA subsection 3.5), characterizes/describes a computational boundary condition of a solver

solver_parameter
type: Class
subclass of: solver_aspect
subclass of: parameter_aspect
comment: solver parameter (MODA subsection 3.6), i.e., a parameter of a solver

solver_error_statement
type: Class
subclass of: error_statement
comment: solver error statement, characterizes/describes the error or uncertainty associated with a solver output

processor
type: Class
subclass of: section
subclass of: annotation
comment: processor (like a MODA postprocessor, however, without implying execution subsequent to a solver, which would correspond to the special case represented by the subclass osmo:postprocessor)
subclass of: Restriction
  on property: has_processor_method_type
  some values from: processor_method_type
disjoint union of: preprocessor
disjoint union of: coupled_processor
disjoint union of: postprocessor
disjoint union of: data_processor

has_processor_aspect
type: ObjectProperty
domain: processor
range: processor_aspect
sub property of: has_aspect
sub property of: has meta annotation
comment: points to an aspect associated with a processor

has_processor_method_type
type: ObjectProperty
domain: processor
range: processor_method_type
sub property of: has_processor_aspect
sub property of: has_method_type
sub property of: has meta annotation
comment: MODA subsection 4.2

has_processor_error_statement
type: ObjectProperty
domain: processor
range: processor_error_statement
sub property of: has_processor_aspect
sub property of: has_error_statement
comment: MODA subsection 4.3

has_processor_software
type: ObjectProperty
domain: processor
range: processor_software
sub property of: has_processor_aspect
sub property of: has_employed_software
comment: OSMO-only subsection 4.4, extending MODA

preprocessor
type: Class
subclass of: processor
comment: preprocessor, i.e., a processor that operates before a solver or during solver initialization

coupled_processor
type: Class
subclass of: processor
comment: coupled processor, i.e., a processor that is synchronized with a solver and operates on the fly

postprocessor
type: Class
subclass of: processor
comment: postprocessor, i.e., a processor that operates subsequent to a solver or during solver finalization

data_processor
type: Class
subclass of: processor
comment: data processor, i.e., a processor that is not coupled or immediately linked to a solver

processor_aspect
type: Class
subclass of: section_aspect
comment: processor aspect, i.e., an aspect of a processor (as in MODA)

processor_method_type
type: Class
subclass of: processor_aspect
subclass of: method_type
subclass of: Restriction
  on property: has_aspect_text_content
  some values from: string
comment: processor method type (MODA subsection 4.2), characterizes/describes the methodology employed by a processor

preprocessor_method_type
type: Class
subclass of: processor_method_type
comment: preprocessor method type, i.e., a method type associated with a preprocessor

coupled_processor_method_type
type: Class
subclass of: processor_method_type
comment: coupled processor method type, i.e., a method type associated with a coupled processor

postprocessor_method_type
type: Class
subclass of: processor_method_type
comment: postprocessor method type, i.e., a method type associated with a postprocessor

TRAJECTORY ANALYSER
type: postprocessor_method_type
has_aspect_text_content: trajectory analyser, i.e., a postprocessor that analyses simulation trajectory output

data_processor_method_type
type: Class
subclass of: processor_method_type
comment: data processor method type, i.e., a method type associated with a data processor

processor_error_statement
type: Class
subclass of: processor_aspect
subclass of: error_statement
comment: processor error statement (MODA subsection 4.3), characterizes/describes the error or uncertainty associated with a processor output

processor_software
type: Class
subclass of: processor_aspect
subclass of: software
comment: processor software (OSMO aspect 4.4, extending MODA), characterizes/describes a code/package to be used as a processor
subclass of: Restriction
  on property: has_aspect_object_content
  some values from: software tool

workflow_graph
type: Class
subclass of: workflow_resource
comment: workflow graph, i.e., a model, a simulation workflow, or a composition of constituent elements and aspects thereof that can be represented in logical data transfer (LDT) notation
disjoint union of: concrete_graph
disjoint union of: virtual_graph

is_concrete
type: DatatypeProperty
domain: workflow_graph
range: boolean
sub property of: has flag

is_virtual
type: DatatypeProperty
domain: workflow_graph
range: boolean
sub property of: has flag

considers
type: ObjectProperty
domain: workflow_graph
range: section
range: Class
  union of: simulation_overview
  union of: use_case
  union of: materials_model
comment: points to the use case or materials model considered by a workflow (sub)graph
sub property of: shares a sign with
inverse of: applies_to

considers_model
type: ObjectProperty
domain: workflow_graph
range: materials_model
comment: points to the materials model considered by a workflow (sub)graph
sub property of: considers

considers_use_case
type: ObjectProperty
domain: workflow_graph
range: use_case
comment: points to the use case considered by a workflow (sub)graph
sub property of: considers
sub property of: has annotation

has_simulation_overview
type: ObjectProperty
domain: simulation_workflow
range: simulation_overview
comment: points to the overview of a simulation workflow
sub property of: considers
sub property of: has annotation
sub property of: mereosemiotics is hs

has_subgraph
type: ObjectProperty
type: TransitiveProperty
domain: workflow_graph
range: workflow_graph
sub property of: has proper part
sub property of: n lnoc or roc
comment: points to a subgraph, i.e., a graph that is subordinate (to the present graph) by containment and/or instantiation

has_starting_point
type: ObjectProperty
domain: workflow_graph
range: workflow_node
comment: points to the position, or a position, where the workflow execution begins
sub property of: has_subgraph
sub property of: has annotation

has_terminal_point
type: ObjectProperty
domain: workflow_graph
range: workflow_node
comment: points to the position, or a position, where the workflow execution terminates
sub property of: has_subgraph
sub property of: has annotation

has_cause
type: ObjectProperty
type: TransitiveProperty
domain: workflow_graph
range: workflow_graph
sub property of: has requirement satisfied by
inverse of: has_effect
comment: [G has_cause F] means that in every execution, F needs to finish before G can begin

has_effect
type: ObjectProperty
type: TransitiveProperty
domain: workflow_graph
range: workflow_graph
sub property of: satisfies requirement of
inverse of: has_cause

is_coupled_with
type: ObjectProperty
domain: workflow_graph
range: workflow_graph
sub property of: mutual requirement
comment: if [F is_coupled_with G] they must occur synchronously when a workflow that contains them is executed

is_direct_cause_of
type: ObjectProperty
domain: workflow_graph
range: workflow_graph
sub property of: is_linked_to
sub property of: has_effect
comment: if [F is direct cause of G] there is an immediate link by which G depends on the conclusion of F

is_direct_effect_of
type: ObjectProperty
domain: workflow_graph
range: workflow_graph
inverse of: is_direct_cause_of
sub property of: is_linked_to
sub property of: has_cause

is_independent_of
type: ObjectProperty
domain: workflow_graph
range: workflow_graph
sub property of: mutual independence
comment: two workflow graphs F and G are independent if they (and any of their subgraphs) are not coupled or linked to each other

is_linked_to
type: ObjectProperty
domain: workflow_graph
range: workflow_graph
sub property of: mutual requirement
comment: if [F is linked to G] they cannot be executed concurrently; one side depends on the completion of the other side

is_contained_within
type: ObjectProperty
type: TransitiveProperty
domain: workflow_graph
range: concrete_graph
inverse of: contains_graph
sub property of: is proper part of
comment: [F is_contained_within G] if F is contained within graph G, e.g., as a subgraph

workflow_node
type: Class
subclass of: workflow_graph
subclass of: annotation
comment: workflow node, i.e., a workflow graph that contains exactly one workflow resource
subclass of: Restriction
  on property: contains_logical
  max cardinality: 1
subclass of: Restriction
  on property: contains_section
  max cardinality: 1

logical_node
type: Class
subclass of: workflow_node
comment: logical node, i.e., a workflow node that contains exactly one logical resource
subclass of: Restriction
  on property: contains_logical
  cardinality: 1
subclass of: Restriction
  on property: contains_section
  cardinality: 0

simulation_workflow
type: Class
subclass of: workflow_graph
subclass of: Restriction
  on property: is sign for
  some values from: simulation
comment: simulation workflow, i.e., a (complete) workflow graph of an actually executable simulation workflow
subclass of: Restriction
  on property: has_simulation_outcome
  some values from: logical_node

has_simulation_use_case_name
type: DatatypeProperty
domain: simulation_workflow
range: string
comment: Use-case 'name', to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet ('MOdelling DAta providing a description for <user-case name> simulated in project ')
sub property of: has name

has_simulation_project_acronym
type: DatatypeProperty
domain: simulation_workflow
range: string
comment: Project acronym, to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet ('MOdelling DAta providing a description for <user-case name> simulated in project ')
sub property of: has descriptor

has_simulation_data_owner
type: ObjectProperty
domain: simulation_workflow
range: agent
sub property of: has requirement satisfied by
comment: Data owner, information to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet; since conducting the simulation requires the authorization and hence 'occurrence' of a/the data owner, this relation is positioned below viprs:has_requirement_satisfied_by

has_workflow_diagram_url
type: DatatypeProperty
domain: simulation_workflow
range: anyURI
comment: URL of a diagram ('workflow picture' according to the MODA cover sheet) illustrating the simulation workflow
sub property of: has file metadata item

has_simulation_outcome
type: ObjectProperty
domain: workflow_graph
range: logical_node
comment: points to a node that contains a logical resource with (all or part of) the end outcome of the simulation workflow
sub property of: has_subgraph
sub property of: has process annotation

concrete_graph
type: Class
subclass of: workflow_graph
subclass of: Restriction
  on property: is_virtual
  has value: false
intersection of: workflow_graph
intersection of: Restriction
  on property: is_concrete
  has value: true
comment: concrete graph, i.e., a workflow graph that is a concrete (non-virtual) workflow resource

contains
type: ObjectProperty
domain: concrete_graph
range: workflow_resource
sub property of: has proper part
comment: [G contains R] if R occurs as a proper part/component of graph G

contains_logical
type: ObjectProperty
domain: concrete_graph
range: logical_resource
sub property of: contains
sub property of: has annotation

contains_section
type: ObjectProperty
domain: concrete_graph
range: section
sub property of: contains

contains_graph
type: ObjectProperty
type: TransitiveProperty
domain: concrete_graph
range: workflow_graph
sub property of: contains
sub property of: has_subgraph
inverse of: is_contained_within

instantiates
type: ObjectProperty
domain: concrete_graph
range: virtual_graph
comment: use of this relation: a virtual graph can be defined by describing a concrete graph that instantiates it (e.g., a single loop iteration), i.e., which is related to the corresponding virtual graph by osmo:instantiates
sub property of: has_subgraph

physical_variable
type: Class
subclass of: logical_variable
subclass of: material property
subclass of: paradigmatic entity
comment: physical variable, i.e., a logical variable defined in terms of a material property

unique_physical_constant
type: Class
subclass of: logical_constant
subclass of: unique_elementary
subclass of: physical_variable
comment: unique physical constant, i.e., a physical variable with a unique constant value

condition
type: Class
subclass of: marketplace related entity
comment: condition, i.e., a statement concerning values of properties and/or parameters and/or their relation to each other
disjoint union of: qualitative_condition
disjoint union of: quantitative_condition

contains_variable
type: ObjectProperty
domain: condition
range: logical_variable
sub property of: has proper part
comment: points to a parameter (e.g., variable or input value) occurring in a condition

contains_predetermined_variable
type: ObjectProperty
domain: condition
range: logical_variable
sub property of: contains_variable
comment: points to a parameter that is determined before workflow execution begins, i.e., an input parameter that is not specified by the user

contains_precomputed_variable
type: ObjectProperty
domain: condition
range: logical_variable
sub property of: contains_variable
comment: points to a parameter that is computed within the workflow, but available and fixed at run time (of the element associate with the present condition), i.e., an input parameter that is not specified by the user

contains_runtime_variable
type: ObjectProperty
domain: condition
range: logical_variable
sub property of: contains_variable
comment: points to a parameter that is only determined at run time (of the element associate with the present condition) or that is varied at run time

contains_undetermined_variable
type: ObjectProperty
domain: condition
range: logical_variable
sub property of: contains_variable
comment: points to a parameter for which no value can be obtained (in an executable simulation workflow, undetermined parameters can only be present in conditions associated with elements that are never executed)

qualitative_condition
type: Class
subclass of: condition
comment: qualitative condition, i.e., a condition (e.g., an inequality) that compares or connects properties and/or parameters without imposing any particular value for any of them, even if the values of all the others are given

quantitative_condition
type: Class
subclass of: condition
comment: quantitative condition, i.e., a condition (e.g., an equation) that imposes a particular value for one of the considered quantities assuming that all others are given

logical_resource
type: Class
subclass of: workflow_resource
subclass of: annotation
comment: logical resource, i.e., a notational element of a simulation workflow to which data (i.e., logical variables) are formally written and/or from where they can be formally read

has_logical_label
type: DatatypeProperty
domain: logical_resource
range: string
sub property of: has_resource_label

has_lrid
type: DatatypeProperty
domain: logical_resource
range: string
comment: points to the logical resource ID (LRID) associated with the present logical resource; n.b., this ID has technical purposes (for notational and visualization purposes, use osmo:has_logical_label)
sub property of: has label

is_interactive
type: DatatypeProperty
domain: logical_resource
range: boolean
comment: states whether an external entity (user interaction, or some process not represented in the workflow) has write access to this resource at execution time
sub property of: has flag

has_stored_variable
type: ObjectProperty
domain: logical_resource
range: logical_variable
sub property of: has proper part
sub property of: satisfies requirement of

logical_term
type: Class
subclass of: marketplace related entity
disjoint with: logical_access
disjoint with: section_aspect
comment: logical term, i.e., a logical variable or a value that can be assigned to a logical variable
disjoint union of: logical_variable
disjoint union of: logical_value
disjoint union of: elementary_term
disjoint union of: structure_term

has_term_index
type: DatatypeProperty
domain: logical_term
range: nonNegativeInteger
comment: identifies a term by a non-negative integer number; in particular, use for array terms (numbering convention: from 0 to array size minus 1)
sub property of: has numerical identifier

has_term_name
type: DatatypeProperty
domain: logical_term
range: string
sub property of: has name

elementary_term
type: Class
subclass of: logical_term
comment: elementary term, i.e., a logical term without any internal structure
disjoint union of: elementary_logical
disjoint union of: elementary_value

has_term_unit
type: ObjectProperty
type: FunctionalProperty
domain: elementary_term
range: unit
comment: unit associated with any assigned decimal values
sub property of: has proper part

structure_term
type: Class
subclass of: logical_term
comment: structure term, i.e., a logical term with an internal structure
disjoint union of: logical_structure
disjoint union of: structure_value

has_structure_element
type: ObjectProperty
domain: structure_term
range: logical_term
sub property of: has proper part
comment: points to an element of a structure

logical_value
type: Class
subclass of: logical_term
subclass of: annotation
comment: logical value, i.e., an entity that can be assigned to a logical variable as its value
disjoint union of: elementary_value
disjoint union of: structure_value

elementary_value
type: Class
subclass of: logical_value
subclass of: elementary_term
intersection of: logical_value
intersection of: elementary_term
comment: elementary value, i.e., an entity that can be assigned to an elementary logical (variable) as its value

is_decimal
type: DatatypeProperty
domain: elementary_value
range: decimal
sub property of: has numerical content

is_string
type: DatatypeProperty
domain: elementary_value
range: string
sub property of: has textual content

ZERO
type: elementary_value
is_decimal: 0.0

ONE
type: elementary_value
is_decimal: 1.0

structure_value
type: Class
subclass of: logical_value
subclass of: structure_term
intersection of: logical_value
intersection of: structure_term
comment: structure value, i.e., an entity that can be assigned to a logical structure as its value

logical_variable
type: Class
subclass of: logical_term
comment: logical variable, i.e., a term that can be exchanged by interaction with logical resources
disjoint union of: elementary_logical
disjoint union of: logical_structure
disjoint union of: unique_logical
disjoint union of: logical_collection

has_value
type: ObjectProperty
domain: logical_variable
range: logical_value
sub property of: is sign for
comment: points to a value associated with a logical variable

has_current_value
type: ObjectProperty
domain: logical_variable
range: logical_value
sub property of: has_value
comment: value associated with a logical variable at any concrete state/point in time, either explictly specified or clear from context

has_default_value
type: ObjectProperty
domain: logical_variable
range: logical_value
sub property of: has_value
comment: value to be associated with a logical variable in the absence of any other overriding assertion

has_initial_value
type: ObjectProperty
domain: logical_variable
range: logical_value
sub property of: has_value
comment: value associated with a logical variable in an initial state, e.g., at the start of a workflow or subworkflow execution

has_final_value
type: ObjectProperty
domain: logical_variable
range: logical_value
sub property of: has_value
comment: value associated with a logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution

has_variable_index
type: DatatypeProperty
domain: logical_variable
range: nonNegativeInteger
sub property of: has_term_index
comment: identifies a variable by a non-negative integer number; in particular, use for logical arrays (numbering convention: from 0 to array size minus 1)
sub property of: has numerical identifier

has_variable_name
type: DatatypeProperty
domain: logical_variable
sub property of: has_term_name
range: string

is_constant
type: DatatypeProperty
domain: logical_variable
range: boolean
sub property of: has flag

is_encoded_by
type: ObjectProperty
domain: logical_variable
range: io format
comment: format by which the present logical variable is represented in the technical implementation of a simulation workflow
sub property of: has annotation

logical_constant
type: Class
subclass of: logical_variable
comment: logical constant, i.e., a logical variable with constant value
intersection of: logical_variable
intersection of: Restriction
  on property: is_constant
  has value: true

elementary_logical
type: Class
subclass of: logical_variable
subclass of: elementary_term
intersection of: logical_variable
intersection of: elementary_term
comment: elementary logical, i.e., a logical variable that does not contain any (sub-)variables as structure elements

has_elementary_value
type: ObjectProperty
domain: elementary_logical
range: elementary_value
sub property of: has_value
comment: value associated with an elementary logical variable

has_current_elementary_value
type: ObjectProperty
domain: elementary_logical
range: elementary_value
sub property of: has_elementary_value
sub property of: has_current_value

has_default_elementary_value
type: ObjectProperty
domain: elementary_logical
range: elementary_value
sub property of: has_elementary_value
sub property of: has_default_value

has_initial_elementary_value
type: ObjectProperty
domain: elementary_logical
range: elementary_value
sub property of: has_elementary_value
sub property of: has_initial_value

has_final_elementary_value
type: ObjectProperty
domain: elementary_logical
range: elementary_value
sub property of: has_elementary_value
sub property of: has_final_value
comment: value associated with an elementary logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution

has_variable_unit
type: ObjectProperty
type: FunctionalProperty
domain: elementary_logical
range: unit
comment: unit associated with any assigned decimal values
sub property of: has_term_unit

logical_structure
type: Class
subclass of: logical_variable
subclass of: structure_term
intersection of: logical_variable
intersection of: structure_term
comment: logical structure, i.e., a logical variable that contains (sub-)variables as structure elements

has_structure_value
type: ObjectProperty
domain: logical_structure
range: structure_value
sub property of: has_value

has_current_structure_value
type: ObjectProperty
domain: logical_structure
range: structure_value
sub property of: has_structure_value
sub property of: has_current_value

has_default_structure_value
type: ObjectProperty
domain: logical_structure
range: structure_value
sub property of: has_structure_value
sub property of: has_default_value

has_initial_structure_value
type: ObjectProperty
domain: logical_structure
range: structure_value
sub property of: has_structure_value
sub property of: has_initial_value

has_final_structure_value
type: ObjectProperty
domain: logical_structure
range: structure_value
sub property of: has_structure_value
sub property of: has_final_value

logical_array
type: Class
subclass of: unique_structure
comment: logical array, i.e., a unique structure with indexed elements (n.b., for indexing, use has_variable_index, starting from 0)

has_array_element
type: ObjectProperty
domain: logical_array
range: logical_variable
sub property of: has_structure_element
comment: points to an array element

has_dynamic_array_size
type: ObjectProperty
domain: logical_array
range: unique_elementary
sub property of: has symbolic part of sign
comment: points to a variable that contains the (dynamic) array size; convention: element indices run from 0 to the array size minus one

has_element_unit
type: ObjectProperty
type: FunctionalProperty
domain: logical_array
range: unit
comment: unit in which values of array elements are given (does not apply if the array elements are logical structures)
sub property of: has annotation

has_generic_element
type: ObjectProperty
domain: logical_array
range: logical_variable
sub property of: has_array_element
comment: points to the generic representation of the array elements (which is the same for all index values)

has_index_name
type: DatatypeProperty
domain: logical_array
range: string
comment: this property can be used to assign a variable name to the array index
sub property of: has name

has_specific_element
type: ObjectProperty
domain: logical_array
range: logical_variable
sub property of: has_array_element
comment: points to one particular array element (identified by a specific index value)

has_static_array_size
type: DatatypeProperty
domain: logical_array
range: nonNegativeInteger
comment: value that gives the array size; convention: element indices run from 0 to the array size minus one
sub property of: has numerical specifier

ZERO VECTOR 3D
type: logical_array
has_static_array_size: 3
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 0
  has_elementary_value: ZERO
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 1
  has_elementary_value: ZERO
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 2
  has_elementary_value: ZERO

X UNIT VECTOR 3D
type: logical_array
has_static_array_size: 3
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 0
  has_elementary_value: ONE
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 1
  has_elementary_value: ZERO
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 2
  has_elementary_value: ZERO

Y UNIT VECTOR 3D
type: logical_array
has_static_array_size: 3
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 0
  has_elementary_value: ZERO
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 1
  has_elementary_value: ONE
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 2
  has_elementary_value: ZERO

Z UNIT VECTOR 3D
type: logical_array
has_static_array_size: 3
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 0
  has_elementary_value: ZERO
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 1
  has_elementary_value: ZERO
has_specific_element: unique elementary
  type: unique_elementary
  has_variable_index: 2
  has_elementary_value: ONE

unique_logical
type: Class
subclass of: logical_variable
comment: logical scalar, i.e., an logical variable that can have only one value at the same time

logical_collection
type: Class
subclass of: logical_variable
comment: logical collection, i.e., a logical variable that can carry multiple values (e.g., representing a set, map, list, or array)

has_collection_size
type: DatatypeProperty
domain: logical_collection
range: nonNegativeInteger
sub property of: has numerical specifier

unique_elementary
type: Class
subclass of: elementary_logical
subclass of: unique_logical
intersection of: elementary_logical
intersection of: unique_logical

unique_structure
type: Class
subclass of: logical_structure
subclass of: unique_logical
intersection of: logical_structure
intersection of: unique_logical

elementary_collection
type: Class
subclass of: elementary_logical
subclass of: logical_collection
intersection of: elementary_logical
intersection of: logical_collection

structure_collection
type: Class
subclass of: logical_structure
subclass of: logical_collection
intersection of: logical_structure
intersection of: logical_collection

logical_access
type: Class
subclass of: annotation
disjoint with: section_aspect
comment: logical access, i.e., a notational process/connection by which an OSMO/MODA section accesses a logical resource
disjoint union of: logical_read_access
disjoint union of: logical_write_access

has_access_point
type: ObjectProperty
domain: logical_access
range: section
sub property of: satisfies requirement of

has_carried_variable
type: ObjectProperty
domain: logical_access
range: logical_variable
sub property of: satisfies requirement of

has_resource
type: ObjectProperty
domain: logical_access
range: logical_resource
sub property of: has meta annotation

is_at_runtime
type: DatatypeProperty
domain: logical_access
range: boolean
sub property of: has flag

is_final
type: DatatypeProperty
domain: logical_access
range: boolean
sub property of: has flag

is_initial
type: DatatypeProperty
domain: logical_access
range: boolean
sub property of: has flag

logical_read_access
type: Class
subclass of: logical_access
comment: logical read access, i.e., a notational process/connection by which an OSMO/MODA section reads from a logical resource

is_parameterization
type: DatatypeProperty
domain: logical_read_access
range: boolean
sub property of: has flag

logical_write_access
type: Class
subclass of: logical_access
comment: logical write access, i.e., a notational process/connection by which an OSMO/MODA section writes to a logical resource

has_cas_number
type: DatatypeProperty
type: FunctionalProperty
domain: material
range: string
comment: points to the Chemical Abstracts Service Registry Number (CASRN, or CAS number) associated with a material
sub property of: has standardized reference

has_ec_number
type: DatatypeProperty
type: FunctionalProperty
domain: material
range: string
comment: points to the EC number (i.e., the European common market number) associated with a material
sub property of: has standardized reference

cas_listed_material
type: Class
subclass of: material
comment: CAS listed material, i.e., a material that has a Chemical Abstracts Service Registry Number (CASRN, or CAS number)
intersection of: material
intersection of: Restriction
  on property: has_cas_number
  some values from: string

ec_listed_material
type: Class
subclass of: material
comment: EC listed material, i.e., a material that has an EC number and is traded on the European common market
intersection of: material
intersection of: Restriction
  on property: has_ec_number
  some values from: string

einecs_listed_material
type: Class
subclass of: ec_listed_material
comment: EINECS listed material, i.e., an EC listed material from the European Inventory of Existing Commercial Chemical Substances (EINECS)

elincs_listed_material
type: Class
subclass of: ec_listed_material
comment: ELINCS listed material, i.e., an EC listed material from the European List of Notified Chemical Substances (ELINCS)

nlp_listed_material
type: Class
subclass of: ec_listed_material
comment: NLP listed material, i.e., an EC listed material from the No-Longer-Polymers (NLP) List

unit_function
type: Class
subclass of: annotation
comment: Unit function, i.e., purpose or impact of one out of multiple coexisting units of the same or similar type
subclass of: Restriction
  on property: has_uf_descriptor
  some values from: string
subclass of: Restriction
  on property: refers_to_unit
  some values from: marketplace related entity

has_uf_descriptor
type: DatatypeProperty
domain: unit_function
range: string
sub property of: has descriptor

refers_to_unit
type: ObjectProperty
domain: unit_function
range: marketplace related entity
sub property of:
  inverse of: has annotation
sub property of: is symbolic part of sign for
inverse of: has_unit_function

has_unit_function
type: ObjectProperty
domain: marketplace related entity
range: unit_function
sub property of: has annotation
inverse of: refers_to_unit

material_information_uf
type: Class
subclass of: unit_function
comment: Unit function of an MI

optimization_objective
type: Class
subclass of: logical_variable
comment: optimization objective, i.e., a logical variable that is employed as a criterion during optimization

maximization_objective
type: Class
subclass of: optimization_objective
subclass of: unique_elementary
comment: maximization objective, i.e., a target quantity that is to be maximized

minimization_objective
type: Class
subclass of: optimization_objective
subclass of: unique_elementary
comment: minimization objective, i.e., a target quantity that is to be minimized

decision_support_system
type: Class
subclass of: data infrastructure
subclass of: software infrastructure
comment: decision support system, i.e., a data and software infrastructure that facilitates decision support

has_constraint
type: ObjectProperty
domain: decision_support_system
range: condition
sub property of: has proper part
comment: points to a constraint of the optimization problem

has_maximization_objective
type: ObjectProperty
domain: decision_support_system
range: maximization_objective
sub property of: has_objective
comment: points to a target quantity that is to be maximized

has_minimization_objective
type: ObjectProperty
domain: decision_support_system
range: minimization_objective
sub property of: has_objective
comment: points to a target quantity that is to be minimized

has_objective
type: ObjectProperty
domain: decision_support_system
range: optimization_objective
sub property of: has proper part
comment: points to a target quantity

application_decision_support_system
type: Class
subclass of: decision_support_system
comment: application decision support system, i.e., a decision support system that occurs in an application case

use_case_decision_support_system
type: Class
subclass of: application_decision_support_system
comment: use-case decision support system (UDSS), i.e., a decision support system that is applied to a use case

PE type A.1: Classical-mechanical density functional theory (atomistic)
type: physical_equation_type
type: codelist pe type
type: pe_type_atomistic_density_functional
in scheme: CL PE TYPE
notation: PE_TYPE_A.1

PE type A.2: Molecular statics (atomistic), energy minimization
type: physical_equation_type
type: codelist pe type
type: pe_type_atomistic_molecular_statics
in scheme: CL PE TYPE
notation: PE_TYPE_A.2

PE type A.3: Molecular dynamics (atomistic)
type: physical_equation_type
type: codelist pe type
type: pe_type_atomistic_molecular_dynamics
in scheme: CL PE TYPE
notation: PE_TYPE_A.3

PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
type: physical_equation_type
type: codelist pe type
type: pe_type_atomistic_partition_function
in scheme: CL PE TYPE
notation: PE_TYPE_A.4

PE type A.5: Atomistic spin model
type: physical_equation_type
type: codelist pe type
type: pe_type_atomistic_spin_model
in scheme: CL PE TYPE
notation: PE_TYPE_A.5

PE type A.6: Statistical transport model (atomistic)
type: physical_equation_type
type: codelist pe type
type: pe_type_atomistic_statistical_transport
in scheme: CL PE TYPE
notation: PE_TYPE_A.6

PE type CO.1: Continuum solid mechanics
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_solid_mechanics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.1

PE type CO.2: Continuum fluid mechanics
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_fluid_mechanics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.2

PE type CO.3: Continuum modelling of heat transfer and thermomechanics
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_heat_transfer
in scheme: CL PE TYPE
notation: PE_TYPE_CO.3

PE type CO.4: Phase field model or continuum density gradient theory
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_phase_field
in scheme: CL PE TYPE
notation: PE_TYPE_CO.4

PE type CO.5: Continuum thermodynamics
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_thermodynamics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.5

PE type CO.6: Continuum modelling of chemical reaction kinetics
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_reaction_kinetics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.6

PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_electromagnetism
in scheme: CL PE TYPE
notation: PE_TYPE_CO.7

PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
type: physical_equation_type
type: codelist pe type
type: pe_type_continuum_process_model
in scheme: CL PE TYPE
notation: PE_TYPE_CO.8

PE type EL.1: Ab-initio quantum mechanical (or first principle) model
type: physical_equation_type
type: codelist pe type
type: pe_type_electronic_qm_abinitio
in scheme: CL PE TYPE
notation: PE_TYPE_EL.1

PE type EL.2: Electronic many-body and/or effective Hamiltonian model
type: physical_equation_type
type: codelist pe type
type: pe_type_electronic_manybody_effective
in scheme: CL PE TYPE
notation: PE_TYPE_EL.2

PE type EL.3: QM model of the response to time-dependent fields
type: physical_equation_type
type: codelist pe type
type: pe_type_electronic_time_dependent
in scheme: CL PE TYPE
notation: PE_TYPE_EL.3

PE type EL.4: Statistical charge transport model
type: physical_equation_type
type: codelist pe type
type: pe_type_electronic_charge_transport
in scheme: CL PE TYPE
notation: PE_TYPE_EL.4

PE type EL.5: Statistical electron spin transport model
type: physical_equation_type
type: codelist pe type
type: pe_type_electronic_spin_transport
in scheme: CL PE TYPE
notation: PE_TYPE_EL.5

PE type M.1: Classical-mechanical density functional theory (mesoscopic)
type: physical_equation_type
type: codelist pe type
type: pe_type_mesoscopic_density_functional
in scheme: CL PE TYPE
notation: PE_TYPE_M.1

PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
type: physical_equation_type
type: codelist pe type
type: pe_type_mesoscopic_molecular_statics
in scheme: CL PE TYPE
notation: PE_TYPE_M.2

PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
type: physical_equation_type
type: codelist pe type
type: pe_type_mesoscopic_molecular_dynamics
in scheme: CL PE TYPE
notation: PE_TYPE_M.3

PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
type: physical_equation_type
type: codelist pe type
type: pe_type_mesoscopic_partition_function
in scheme: CL PE TYPE
notation: PE_TYPE_M.4

PE type M.5: Micromagnetism model
type: physical_equation_type
type: codelist pe type
type: pe_type_mesoscopic_micromagnetism
in scheme: CL PE TYPE
notation: PE_TYPE_M.5

PE type M.6: Statistical transport model (mesoscopic)
type: physical_equation_type
type: codelist pe type
type: pe_type_mesoscopic_statistical_transport
in scheme: CL PE TYPE
notation: PE_TYPE_M.6