hheenen's repositories
workflow
python workflow toolkit
Language:Python000
ExPyRe
Execute Python Remotely
GPL-2.0000
model_transport_selectivity
This repository contains the code and data for the transport coupled microkinetic model to 1) simulate a minimal model for the desorption--re-adsorption--reaction and 2) The acetate selectivity mechanism also contained in https:// doi.org/10.5281/zenodo.5013854.
Language:PythonMIT000
SimSoliqTools
Tools for the analysis and post processing of (molecular dynamics) simulations of solid/liquid interfaces
lammps
Public development project of the LAMMPS MD software package
Language:C++GPL-2.0000