Slot: calculated_property
A property computed by this Simulation, provided as a CalculatedProperty
instance. Multiple properties may be computed in a single simulation run.
URI: coremeta4cat:calculated_property Alias: calculated_property
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| Simulation | A DataGeneratingActivity in which a catalyst, catalytic material, or catalytic process is modelled computationally. The simulation software is linked via carried_out_by as a Software agent. The simulation method (protocol) is linked via realized_plan using a SimulationMethod instance. The catalyst model or reaction being simulated is linked via evaluated_entity or evaluated_activity. The specific simulation type is expressed via rdf_type (e.g. coremeta4cat:DFT, NCIT:C18097 for molecular dynamics), following DCAT-AP-PLUS Pattern 3. |
no |
Properties
-
Range: CalculatedProperty
-
Multivalued: True
-
Required: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:calculated_property |
| native | coremeta4cat:calculated_property |
LinkML Source
name: calculated_property
description: 'A property computed by this Simulation, provided as a CalculatedProperty
instance. Multiple properties may be computed in a single simulation run.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:calculated_property
alias: calculated_property
domain_of:
- Simulation
range: CalculatedProperty
required: true
multivalued: true
inlined: true
inlined_as_list: true