II.
LibraryAgent overview
Reference · livelib-agent:physics--md-simulation-specialist
md-simulation-specialist overview
Agent specialized in molecular dynamics simulation setup, validation, and analysis
Attributes
displayName
md-simulation-specialist
description
Agent specialized in molecular dynamics simulation setup, validation, and analysis
libraryPath
library/specializations/domains/science/physics/agents/md-simulation-specialist/AGENT.md
specialization
physics
role
Computational Physics Agent
expertise
- Force field selection
- Initial configuration preparation
- Integration parameters
- Thermostats and barostats
- Observable extraction
Outgoing edges
lib_applies_to_domain1
- domain:physics·DomainPhysics
lib_belongs_to_specialization1
- specialization:physics·SpecializationPhysics
lib_implements_workflow2
- workflow:experiment-design·WorkflowExperiment Design
- workflow:peer-review-cycle·WorkflowPeer Review Cycle
lib_involves_role2
- role:computational-scientist·RoleComputational Scientist
- role:research-engineer·RoleResearch Engineer
lib_requires_skill_area3
- skill-area:physics-simulation·SkillAreaPhysics Simulation
- skill-area:mathematical-reasoning·SkillAreaMathematical Reasoning
- skill-area:statistical-analysis·SkillAreaStatistical Analysis
Incoming edges
uses_agent1
- lib-process:physics--molecular-dynamics-simulation-setup·LibraryProcessmolecular-dynamics-simulation-setup