Equation of state for natural gas (several varieties) and mixtures with hydrogen. Also Moody plots for the calculation of the friction factor in rough pipes.

A set of tools for characterizing and analying 3D images of porous materials

A Python package for performing pore network modeling of porous media

an automatic reaction network generator for reactive molecular dynamics simulation

The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)

official release of the LIGGGHTS® DEM software by DCS Computing. For further info, forums, and bug reports, please visit http://www.cfdem.com. For the DEM software Aspherix® by DCS Computing that r…

A deep learning package for many-body potential energy representation and molecular dynamics

Bilibili Downloader. 一款命令行式哔哩哔哩下载器.

Python package to construct free energy profiles from biased molecular simulation data using both log-likelihood maximization and self-consistent iteration approaches.

Library for performing multiphase simulations (based on the Shan-Chen model) in complicated geometries (i.e. porous media 3D images)

Sample codes for my book on molecular dynamics simulation

Coupling between the Lattice-Boltzmann code Palabos and the DEM code LIGGGHTS

C++ code for Markov Chain Monte Carlo simulations in the grand canonical ensemble.

Git for Palabos http://www.palabos.org/

Package for flow simulations in pore-network models of porous media