Liquid Argon: LAMMPS Simulation
Explore the molecular dynamics of liquid argon in this fundamental LAMMPS simulation. This classic system demonstrates liquid-state behavior and serves as a benchmark for molecular dynamics methods.
Lammps
Modernizing Rahman's 1964 Argon Simulation
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.
Modernizing Rahman's 1964 Argon Simulation
A modern replication of Rahman’s 1964 argon molecular dynamics paper in LAMMPS, with a cached, vectorized Python analysis pipeline and an agreement table.
Copper Adatom Diffusion on Cu(100): LAMMPS Simulation
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.
LAMMPS Tutorial: Copper and Platinum Adatom Diffusion
Step-by-step LAMMPS tutorial for simulating copper and platinum adatom diffusion. Learn surface dynamics simulation, trajectory analysis, and how atomic mass affects diffusion for machine learning datasets.
Platinum Adatom Diffusion on Pt(100): LAMMPS Simulation
Visualize platinum atom diffusion on crystal surfaces in this LAMMPS molecular dynamics simulation. Understand surface mobility mechanisms crucial for catalysis and materials design.
Automated Adatom Diffusion Workflow
A LAMMPS and EAM workflow simulating adatom diffusion on copper and platinum FCC surfaces, with a Python layer for energy and trajectory diagnostics.