jkitchin
@jkitchin
Public Skills
eln
by jkitchin
Professional scientific documentation in org-mode electronic lab notebooks with date-based organization, comprehensive record-keeping of hypotheses, methods, results, reasoning, and outcomes for reproducible research
scientific-writing
by jkitchin
Comprehensive scientific writing guidance for research papers, grants, and technical documentation. Covers paper structure (IMRAD), methods writing, results presentation, figure/table design, citation formatting, abstract writing, and revision responses. Use when users are writing scientific papers, formatting manuscripts, responding to reviewers, writing grant proposals, or need help with any aspect of scientific communication. Triggers include 'write a paper,' 'scientific writing,' 'format my manuscript,' 'methods section,' 'respond to reviewers,' or any research writing task.
pymatgen
by jkitchin
Comprehensive guidance for using pymatgen (Python Materials Genomics) for computational materials science. Covers structure creation and manipulation, file I/O (CIF, POSCAR, XYZ), symmetry analysis, Materials Project API integration, phase diagrams, electronic structure analysis, and DFT input generation. Use when working with crystal structures, materials properties, computational chemistry calculations, or materials databases. Triggers include 'pymatgen', 'crystal structure', 'Materials Project', 'CIF file', 'POSCAR', 'band structure', 'phase diagram', or materials analysis tasks.
tdd
by jkitchin
Test-Driven Development facilitation using the red-green-refactor cycle. Guides users through writing tests first, implementing minimal code to pass, and refactoring for quality. Use when users want to practice TDD, need help writing tests before code, are developing new features test-first, or want guidance on test structure and implementation. Triggers include 'use TDD,' 'test-driven development,' 'write tests first,' 'red-green-refactor,' or requests to develop functionality with tests.
troubleshooting
by jkitchin
Systematic debugging and problem diagnosis using structured troubleshooting methodologies applicable to any domain - technical issues, process failures, system problems, or general obstacles. Use when users report errors, describe malfunctions, encounter unexpected behavior, or need help diagnosing root causes. Triggers include 'debug this,' 'troubleshoot,' 'why isn't this working,' 'getting an error,' 'something's wrong with,' 'how do I fix,' or any problem description.
planning
by jkitchin
Structured planning and project breakdown using proven methodologies for goals, projects, and strategic initiatives. Use when users need to create plans, break down complex projects, set milestones, estimate timelines, identify dependencies, or develop action plans. Triggers include 'help me plan,' 'create a roadmap for,' 'break down this project,' 'what are the steps to,' or 'how should I approach.'
brainstorming
by jkitchin
Structured brainstorming and ideation facilitation using proven creativity techniques. Use when users want to generate ideas, explore solutions, break through creative blocks, or need facilitated ideation sessions. Triggers include requests like 'help me brainstorm,' 'generate ideas for,' 'creative solutions to,' or 'think of alternatives.'
fairchem
by jkitchin
Expert guidance for Meta's FAIRChem library - machine learning methods for materials science and quantum chemistry using pretrained UMA models with ASE integration for fast, accurate predictions
python-best-practices
by jkitchin
Expert guidance for writing professional Python code following industry best practices including PEP 8 compliance, testing, type hints, error handling, and modern tooling. Use this skill when writing new Python code, refactoring existing code, setting up Python projects, implementing tests, or ensuring code quality and maintainability. Emphasizes: PEP 8, modularity, DRY principle, TDD, virtual environments (uv), and modern tooling (Ruff, Black, Mypy).
phd-qualifier
by jkitchin
Expert evaluation of Chemical Engineering PhD qualifying exams - review written reports, presentations, and prepare comprehensive questioning sessions to assess student readiness for doctoral research