juditzador

Computational chemist.

Sandia National LaboratoriesLivermore, CA

Pinned Repositories

hex-monte-carlo
Monte Carlo simulator for a game of Hex
Language:Python10
KinBot
Automated reaction pathway search for gas-phase molecules
Language:Python44 9 3415
pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
Language:Python31 2 110
sella
A Python software package for saddle point optimization and minimization of atomic systems.
Language:Python64 10 2819

juditzador's Repositories

juditzador/hex-monte-carlo
Monte Carlo simulator for a game of Hex
Language:Python10