Hybrid Reverse Monte Carlo (HRMC)

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About this Collection

Hybrid Reverse Monte Carlo (HRMC)

A program for generating atomistic models in real space by a combination of empirical potential energy minimization and the fitting of experimentally motivated constraints. Suitable inputs include experimental data such as diffraction data (structure factor and radial distribution functions) and computational data (bond angle, bond length, coordin... more

Condensed Matter Physics not elsewhere classified Simulation and Modelling

01 Jan 2002

23 Aug 2017

George Opletal

HRMC RMC EDIP Hybrid Reverse Monte Carlo Material Modelling


G. Opletal, T. Petersen, B. O’Malley, I. Snook, D. G. McCulloch, N. A. Marks, I. Yarovsky, Hybrid approach for generating realistic amorphous carbon structure using metropolis and reverse Monte Carlo, Mol. Sim. 28, 927-938 (2002).


The original presentation of the HRMC methodology was published in Mol. Sim. in 2002 . A first version of the code, HRMC 1.0, was published in Comp. Phys. Comm. in 2008 and HRMC 2.0 in 2013 and finally HRMC 2.1 in 2014.

Brendan O'Malley Timothy Petersen George Opletal

CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence)

CSIRO (Australia)

Opletal, George (2017): Hybrid Reverse Monte Carlo (HRMC). v1. CSIRO. Software Collection.

All Rights (including copyright) CSIRO 2017.

The metadata and files (if any) are available to the public.

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About this Project

MMM Research & Applications

Molecular modellings software development and maintenance

Manolo Per

MMM Software

Software produced by the DATA61 Molecular and Materials Modelling Team


George Opletal

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