Processing...

Hybrid Reverse Monte Carlo (HRMC)

Tools Click here to view this collection in the new DAP user interface

show summary fields  |   show all    
Tools



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


https://doi.org/10.4225/08/59dab19e0c3d8


01 Jan 2002


23 Aug 2017


George Opletal
George.Opletal@data61.csiro.au

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).

Attribution

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. https://doi.org/10.4225/08/59dab19e0c3d8


All Rights (including copyright) CSIRO 2017.


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

show all

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


Modelling


George Opletal


Related collections

  • PorosityPlus....
    view