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Dave AI
AFLOW Materials Discovery
AFLOW automatic materials discovery skill for high-throughput DFT calculations and materials database queries
instructions.md
--- name: aflow-materials-discovery-edddf6d20f5c description: AFLOW automatic materials discovery skill for high-throughput DFT calculations and materials database queries allowed-tools: - Bash - Read - Write - Edit - Glob - Grep metadata: specialization: physics domain: science category: condensed-matter phase: 6 graph: domains: [domain:physics] skillAreas: [skill-area:physics-simulation, skill-area:statistical-analysis, skill-area:mathematical-reasoning] workflows: [workflow:experiment-design, workflow:peer-review-cycle] roles: [role:research-scientist, role:computational-scientist] --- # AFLOW Materials Discovery ## Purpose Provides expert guidance on AFLOW for high-throughput materials discovery, including database queries, workflow generation, and machine learning integration. ## Capabilities - AFLOW database API queries - Automatic workflow generation - Thermodynamic stability analysis - Prototype structure generation - Descriptor calculation - Machine learning integration ## Usage Guidelines 1. **Database Queries**: Search AFLOW database for materials 2. **Workflow Generation**: Create automatic DFT workflows 3. **Stability Analysis**: Analyze thermodynamic stability 4. **Prototypes**: Generate crystal structure prototypes 5. **ML Integration**: Calculate descriptors for ML models ## Tools/Libraries - AFLOW - aflow.py - Materials Project API--- name: aflow-materials-discovery-edddf6d20f5c description: AFLOW automatic materials discovery skill for high-throughput DFT calculations and materials database queries allowed-tools: - Bash - Read - Write - Edit - Glob - Grep metadata: specialization: physics domain: science category: condensed-matter phase: 6 graph: domains: [domain:physics] skillAreas: [skill-area:physics-simulation, skill-area:statistical-analysis, skill-area:mathematical-reasoning] workflows: [workflow:experiment-design, workflow:peer-review-cycle] roles: [role:research-scientist, role:computational-scientist] --- # AFLOW Materials Discovery ## Purpose Provides expert guidance on AFLOW for high-throughput materials discovery, including database queries, workflow generation, and machine learning integration. ## Capabilities - AFLOW database API queries - Automatic workflow generation - Thermodynamic stability analysis - Prototype structure generation - Descriptor calculation - Machine learning integration ## Usage Guidelines 1. **Database Queries**: Search AFLOW database for materials 2. **Workflow Generation**: Create automatic DFT workflows 3. **Stability Analysis**: Analyze thermodynamic stability 4. **Prototypes**: Generate crystal structure prototypes 5. **ML Integration**: Calculate descriptors for ML models ## Tools/Libraries - AFLOW - aflow.py - Materials Project API
Platform guidance
Imported from the listed AgentSkill.sh category. Complete supplied package files and notices are retained. Required external tools and credentials are not installed. No bundled code was executed during import. Individual agent task behavior has not been tested.