fl-sean03

quantum-espresso

fl-sean032/24/2026

Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculatio...

lammps-simulation

fl-sean031/27/2026

Run LAMMPS molecular dynamics simulations. Use when asked to run MD simulations, energy minimization, equilibration, production runs, or calculate properties like diffusion, RDF, MSD. Supports both CP...

literature-search

fl-sean031/27/2026

Search and retrieve scientific literature. Use when asked to find papers, research a topic, find citations, get paper abstracts, or conduct literature reviews. Accesses Semantic Scholar, arXiv, and ot...

powerpoint-builder

fl-sean032/5/2026

PowerPoint, PPTX, presentation, slides, deck, python-pptx, create presentation, build deck