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HRMC (Hybrid Reverse Monte Carlo)

Posted by: Amanda Barnard

August 22, 2016

hrmc
The network of carbon atoms recovered from experimental data characterizing glass carbon.

HRMC is an atomistic Monte Carlo modelling code that trials atomic configurations, while fitting experimentally motivated constraints and simultaneously minimizing the energy using some empirical interatomic potentials.  Ideal for recovering atomistic models consistent with both experimental data and theoretical chemistry.

This program is a collaboration between Data61 and RMIT University, and is available for download here.

All documentation is provided, with tutorial examples.  This software is released under the CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence), and can be cited using: Opletal, George (2017) Hybrid Reverse Monte Carlo (HRMC). v1. CSIRO. Software Collection. http://doi.org/10.4225/08/59dab19e0c3d8

For more information, contact the Principal Developer and Project Leader, Dr George Opletal.