AI Agent Skills

Prepare ASE NEB workflow tasks with backend-agnostic controls. Use when the user needs reaction-path optimization between initial/final states with explicit image constr…

Run ReacNetGenerator on reactive MD trajectories to generate reaction networks and reports. Use when the user wants to analyze LAMMPS dump/xyz/bond trajectories with Rea…

Prepare ASE geometry-optimization workflow tasks with backend-agnostic controls. Use when the user needs structural relaxation while selecting optimizer, convergence tar…

Prepare ASE static (single-point) workflow tasks with backend-agnostic workflow controls. Use when the user needs one-shot energy/force/stress evaluation through an ASE…

A Pair Programming Framework for Code Generation via Multi-Plan Exploration and Feedback-Driven Refinement, ASE 2024 (Distinguished Paper Award)

Ingest documents at scale into Amazon OpenSearch using OpenSearch Ingestion Service (OSIS) pipelines. Upload pre-generated JSONL chunks to S3 and OSIS indexes them — opt…

Generate real-timestamp subtitle artifacts from final narration audio or merged video with a caption quality gate.

Turn creator performance data into a documented retrospective, grounded hypotheses, and reusable content learnings.

Screen equities with systematic value, momentum, quality, volatility, size, and growth factor frameworks.

Audit concentration, factor exposure, correlation, liquidity, and stress-test risks in an existing portfolio.