Experiences with the publicly available multipurpose simulation code, Music

Shaji Chempath; Tina Düren; Lev Sarkisov; Randall Q. Snurr

doi:10.1080/08927022.2013.819103

Experiences with the publicly available multipurpose simulation code, Music

Shaji Chempath, Tina Düren, Lev Sarkisov, Randall Q. Snurr^*

^*Corresponding author for this work

Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

31 Scopus citations

Abstract

It has been 10 years since the original publication that presented Music, a multipurpose simulation code, written in Fortran 90. Since then, the code has been downloaded over 350 times and used in over 100 publications. In this study, we summarise the philosophy behind Music, its features and capabilities, and review some recent applications of the code to problems ranging from adsorption in porous materials to tribology and free energy analysis. We also reflect upon our experiences with having a computer simulation code available to the public and highlight some current needs in the development of flexible, versatile and well-documented software for Monte Carlo simulations.

Original language	English (US)
Pages (from-to)	1223-1232
Number of pages	10
Journal	Molecular Simulation
Volume	39
Issue number	14-15
DOIs	https://doi.org/10.1080/08927022.2013.819103
State	Published - Dec 1 2013

Funding

R.Q.S. thanks the Department of Energy for support (DE-FG02-08ER15967).

Keywords

Monte Carlo
metal-organic frameworks
zeolites

ASJC Scopus subject areas

General Chemistry
Information Systems
Modeling and Simulation
General Chemical Engineering
General Materials Science
Condensed Matter Physics

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10.1080/08927022.2013.819103

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AB - It has been 10 years since the original publication that presented Music, a multipurpose simulation code, written in Fortran 90. Since then, the code has been downloaded over 350 times and used in over 100 publications. In this study, we summarise the philosophy behind Music, its features and capabilities, and review some recent applications of the code to problems ranging from adsorption in porous materials to tribology and free energy analysis. We also reflect upon our experiences with having a computer simulation code available to the public and highlight some current needs in the development of flexible, versatile and well-documented software for Monte Carlo simulations.

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Experiences with the publicly available multipurpose simulation code, Music

Abstract

Funding

Keywords

ASJC Scopus subject areas

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