kobra

We have hosted the application kobra in order to run this application in our online workstations with Wine or directly.

Quick description about kobra:

This is a standalone program for a) the calculation of diffusion coefficients of sorbates inside nanoporous materials at different loadings by using transition rate constants and for b) solving the master equation for a system consisted of a large number of unit cells per each direction. It is based on the following published paper "Kolokathis, P. D., Braun, O. M. J. Comput. Chem. 2019, 40, 2053� 2066. DOI: 10.1002/jcc.25857".

Audience: Science/Research.

Programming Language: MATLAB.
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