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

Performance Evaluation of Thread-Level Speculation in Off-the-Shelf Hardware Transactional Memories

escience

Unlocking Fungal Factories: How Glycosylation Shapes Our Future Bio-Economy

cces cces

Introduction to Parallel Programming

cces cces