I replicated Rahman’s landmark 1964 liquid argon molecular dynamics simulation using modern tools, building a Python analysis pipeline with caching, vectorization, and type hints to bridge vintage science with modern software engineering.
A modern replication of Rahman’s 1964 argon molecular dynamics paper in LAMMPS, with a cached, vectorized Python analysis pipeline and an agreement table.
The foundational 1984 paper introducing EAM, a semi-empirical many-body interatomic potential that incorporates density functional theory concepts to accurately simulate metallic systems while maintaining computational efficiency comparable to pair potentials.
Torrie and Valleau’s 1977 paper introducing importance sampling with non-physical distributions to overcome the sampling gap problem in Monte Carlo free-energy calculations, particularly for phase transitions.
Watch copper atoms move across a crystal surface in this molecular dynamics simulation. This video demonstrates surface diffusion mechanisms important for understanding catalysis and crystal growth processes.
Visualize platinum atom diffusion on crystal surfaces in this LAMMPS molecular dynamics simulation. Understand surface mobility mechanisms crucial for catalysis and materials design.
A LAMMPS and EAM workflow simulating adatom diffusion on copper and platinum FCC surfaces, with a Python layer for energy and trajectory diagnostics.
A practical guide to simulating mini-proteins using GROMACS; from alanine dipeptide to tryptophan systems for ML training data generation.
An automated GROMACS pipeline generating ML-ready molecular dynamics datasets: capped dipeptides across nine residues, with atomic forces at 0.1 ps resolution.
A project I built with Emmanuel Espino and Jason Zogheb at the 2017 Drexel Music Hackathon. It uses computer vision to read a Rubik’s cube and generates music based on how solved each face is.
An audio reactive music video created using Processing, where the visuals are generated from audio information in real-time.
Another experimental electronic track I made under the name Youthful Notion. The video uses basic audio visualization techniques in Unity3D.