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

Simulations lead to design of near-frictionless material

escience

Cheers! It’s Pint of Science time!

cces cces

CCES Genome Research Highlighted by Fapesp

cces cces