Computational Chemistry
Radial distribution function of liquid argon

Liquid Argon: LAMMPS Simulation

LAMMPS molecular dynamics simulation of liquid argon demonstrating fundamental liquid-state behavior and molecular …

Computational Chemistry
Copper adatom trajectory on Cu(100) surface

Copper Adatom Diffusion on Cu(100): LAMMPS Simulation

LAMMPS molecular dynamics simulation of copper adatom diffusion on a Cu(100) surface, showing atomic mobility …

Computational Chemistry
Ball model representation of a crystal surface with steps, kinks, adatoms, and vacancies showing various surface features

LAMMPS Tutorial: Copper Adatom Diffusion Simulation

LAMMPS tutorial for copper surface diffusion simulation and ML training data generation. Includes setup, analysis, and …

Computational Chemistry
Ball model representation of a crystal surface with steps, kinks, adatoms, and vacancies showing various surface features

Platinum Adatom Diffusion on Pt(100) Surface

LAMMPS tutorial for platinum adatom diffusion simulation and ML training data. Learn how heavier atoms behave …

Computational Chemistry
Schematic showing atom-surface interaction

Platinum Adatom Diffusion on Pt(100): LAMMPS Simulation

LAMMPS molecular dynamics simulation of platinum adatom diffusion on a Pt(100) surface, showing atomic mobility …