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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.

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