Computational Chemistry

Processes of Adsorption and Diffusion on Solid Surfaces

Lennard-Jones's 1932 foundational paper introducing potential energy surface models to unify physical and chemical …...

Computational Chemistry

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

Platinum Adatom Diffusion on Pt(100): LAMMPS Simulation

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