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1. gromacs gromacs Public

   Forked from gromacs/gromacs

   Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

   C++ 1 3

2. CNEO-QM-MM-Example CNEO-QM-MM-Example Public

   Python 1

3. Gas-transport-and-adsorption-in-nano-holes Gas-transport-and-adsorption-in-nano-holes Public

   Simulation for conductance of tubes (Clausing factor) with partically sticky walls in 2D

   Jupyter Notebook

4. Diffusion_reaction_model Diffusion_reaction_model Public

   A Crank-Nicolson solver for simulating gas-liquid interface reaction where both diffusion and reaction play a role

   MATLAB