II.
LibraryProcess overview
Reference · livelib-process:materials-science--high-throughput-screening
high-throughput-screening overview
High-Throughput Computational Screening - Implement automated screening workflows using Materials Project/AFLOW databases with property filters and stability criteria.
Attributes
displayName
high-throughput-screening
description
High-Throughput Computational Screening - Implement automated screening workflows using Materials Project/AFLOW
databases with property filters and stability criteria.
libraryPath
library/specializations/domains/science/materials-science/high-throughput-screening.js
specialization
materials-science
references
- - Materials Project: https://materialsproject.org/ - AFLOW: https://aflow.org/ - atomate: https://atomate.org/ - pymatgen: https://pymatgen.org/
example
const result = await orchestrate('domains/science/materials-science/high-throughput-screening', {
targetProperty: 'band-gap',
propertyRange: { min: 1.5, max: 2.5 },
chemicalSpace: ['Ti', 'O', 'N'],
stabilityThreshold: 0.025
});
usesAgents
- materials-informatics-specialist
- database-specialist
- stability-analyst
- property-analyst
- computational-specialist
- ranking-specialist
- synthesis-specialist
- report-generator
- 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_agent3
- lib-agent:nanotechnology--materials-informatics-specialist·LibraryAgentmaterials-informatics-specialist
- lib-agent:computer-science--synthesis-specialist·LibraryAgentsynthesis-specialist
- lib-agent:meta--technical-writer·LibraryAgenttechnical-writer
Incoming edges
None.