Software Packages

Software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials

Software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials

Ferry, Alberto, and Bernd’s Ultimate Learning Of Useful Slow-coordinates

Software to extend Plumed with path-collective variables

A Python library to facilitate path sampling algorithms

Trace the minimum free energy pathway in a metadynamics bias potential

example input files for a path-metadynamics simulation of acetic acid dissociation and proton transfer with Plumed and CP2K

Molecular visualizer/editor