Slot: force_field
Force field or interatomic potential used (e.g. ReaxFF, CHARMM, Tersoff,
EAM). Include parametrisation source or reference.
URI: coremeta4cat:force_field Alias: force_field
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| MolecularDynamics | Molecular dynamics simulation — a method for computing the time evolution of a system of interacting particles by integrating the equations of motion. Used to study diffusion, reaction kinetics, and thermal properties. |
no |
Properties
-
Range: String
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:force_field |
| native | coremeta4cat:force_field |
LinkML Source
name: force_field
description: 'Force field or interatomic potential used (e.g. ReaxFF, CHARMM, Tersoff,
EAM). Include parametrisation source or reference.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:force_field
alias: force_field
domain_of:
- MolecularDynamics
range: string
multivalued: true