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

Construction of reduced-order models for fluid flows using deep feedforward neural networks

cces cces

OmpCloud: Bridging the Gap between OpenMP and Cloud Computing

cces cces

Transition, intermittency and phase interference effects in airfoil secondary tones and acoustic feedback loop

cces cces