II.
LibraryProcess overview
Reference · livelib-process:materials-science--molecular-dynamics
molecular-dynamics overview
Molecular Dynamics Simulation - Execute MD simulations for thermal transport, mechanical deformation, diffusion, and phase transformation kinetics using LAMMPS.
Attributes
displayName
molecular-dynamics
description
Molecular Dynamics Simulation - Execute MD simulations for thermal transport, mechanical deformation,
diffusion, and phase transformation kinetics using LAMMPS.
libraryPath
library/specializations/domains/science/materials-science/molecular-dynamics.js
specialization
materials-science
references
- - LAMMPS: https://www.lammps.org/ - ASE: https://wiki.fysik.dtu.dk/ase/ - OVITO: https://www.ovito.org/ - OpenKIM: https://openkim.org/
example
const result = await orchestrate('domains/science/materials-science/molecular-dynamics', {
materialId: 'MAT-002',
simulationType: 'thermal-conductivity',
temperature: 300,
potential: 'eam'
});
usesAgents
- md-specialist
- potential-specialist
- md-calculator
- md-equilibration-specialist
- thermal-transport-specialist
- mechanical-md-specialist
- diffusion-md-specialist
- phase-transformation-specialist
- trajectory-analyst
- visualization-specialist
- technical-writer
Outgoing edges
lib_applies_to_domain1
- domain:materials-science·DomainMaterials Science
lib_belongs_to_specialization1
- specialization:materials-science·SpecializationMaterials Science
lib_implements_workflow1
- workflow:experiment-design·WorkflowExperiment Design
lib_involves_role1
- role:research-engineer·RoleResearch Engineer
lib_requires_skill_area3
- skill-area:data-analysis·SkillAreaData Analysis
- skill-area:statistical-analysis·SkillAreaStatistical Analysis
- skill-area:mathematical-reasoning·SkillAreaMathematical Reasoning
uses_agent1
- lib-agent:meta--technical-writer·LibraryAgenttechnical-writer
Incoming edges
None.