Experiences with the publicly available multipurpose simulation code, Music

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

doi:10.1080/08927022.2013.819103

Experiences with the publicly available multipurpose simulation code, Music

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

^*Corresponding author for this work

School of Engineering

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

Abstract / Description of output

It has been 1 0years 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
Pages (from-to)	1195-1204
Number of pages	10
Journal	Molecular simulation
Volume	39
Issue number	14-15
DOIs	https://doi.org/10.1080/08927022.2013.819103
Publication status	Published - 1 Dec 2013

Keywords / Materials (for Non-textual outputs)

Monte Carlo
zeolites
metal-organic frameworks
METAL-ORGANIC FRAMEWORKS
MONTE-CARLO SIMULATIONS
WALLED ALUMINOSILICATE NANOTUBES
MOLECULAR-DYNAMICS SIMULATIONS
LIQUID-PHASE ADSORPTION
METHANE STORAGE
BINARY-MIXTURES
N-ALKANES
COMPUTER-SIMULATION
ENERGY MINIMIZATION

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10.1080/08927022.2013.819103

Cite this

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title = "Experiences with the publicly available multipurpose simulation code, Music",

abstract = "It has been 1 0years 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.",

keywords = "Monte Carlo, zeolites, metal-organic frameworks, METAL-ORGANIC FRAMEWORKS, MONTE-CARLO SIMULATIONS, WALLED ALUMINOSILICATE NANOTUBES, MOLECULAR-DYNAMICS SIMULATIONS, LIQUID-PHASE ADSORPTION, METHANE STORAGE, BINARY-MIXTURES, N-ALKANES, COMPUTER-SIMULATION, ENERGY MINIMIZATION",

author = "Shaji Chempath and Tina Dueren and Lev Sarkisov and Snurr, {Randall Q.}",

year = "2013",

month = dec,

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doi = "10.1080/08927022.2013.819103",

language = "English",

volume = "39",

pages = "1195--1204",

journal = "Molecular simulation",

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T1 - Experiences with the publicly available multipurpose simulation code, Music

AU - Chempath, Shaji

AU - Dueren, Tina

AU - Sarkisov, Lev

AU - Snurr, Randall Q.

PY - 2013/12/1

Y1 - 2013/12/1

N2 - It has been 1 0years 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.

AB - It has been 1 0years 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.

KW - Monte Carlo

KW - zeolites

KW - metal-organic frameworks

KW - METAL-ORGANIC FRAMEWORKS

KW - MONTE-CARLO SIMULATIONS

KW - WALLED ALUMINOSILICATE NANOTUBES

KW - MOLECULAR-DYNAMICS SIMULATIONS

KW - LIQUID-PHASE ADSORPTION

KW - METHANE STORAGE

KW - BINARY-MIXTURES

KW - N-ALKANES

KW - COMPUTER-SIMULATION

KW - ENERGY MINIMIZATION

U2 - 10.1080/08927022.2013.819103

DO - 10.1080/08927022.2013.819103

M3 - Article

SN - 0892-7022

VL - 39

SP - 1195

EP - 1204

JO - Molecular simulation

JF - Molecular simulation

IS - 14-15

ER -

Experiences with the publicly available multipurpose simulation code, Music

Abstract / Description of output

Keywords / Materials (for Non-textual outputs)

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