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Cassandra: An open source Monte Carlo package for molecular simulation

Jindal K Shah1, Eliseo Marin-Rimoldi2, Ryan Gotchy Mullen2

  • 1School of Chemical Engineering, Oklahoma State University, Stillwater, Oklahoma, 74078.

Journal of Computational Chemistry
|April 25, 2017
PubMed
Summary

Cassandra is an open-source Monte Carlo simulation package for modeling thermodynamic properties of materials. It details algorithms, implementation, and provides examples for users.

Keywords:
Monte Carloatomistic simulationmolecular modelingopen source softwarethermodynamics

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