CCES Unicamp

dCCIforLAMMPS: dynamical Clausius-Clapeyron integration using LAMMPS

This repository contains a set of source codes and input scripts that allows to perform nonequilibrium free-energy calculations of phase-boundaries of atomistic systems using LAMMPS molecular dynamics software.

https://github.com/samuelcajahuaringa/dCCIforLAMMPS

 

Related posts

CCES researcher receives WSCAD Best-Paper Award 2018

cces cces

CCES article in top Altimetric ranking

cces cces

Unraveling Life’s Molecular Mysteries: How Tiny Forces Shape Our Proteins

cces cces