Experiences with the publicly available multipurpose simulation code, Music

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

Research output: Contribution to journalArticle

26 Citations (Scopus)

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 languageEnglish
Pages (from-to)1223-1232
Number of pages10
JournalMolecular Simulation
Volume39
Issue number14-15
DOIs
Publication statusPublished - 1 Dec 2013

Keywords

  • metal-organic frameworks
  • Monte Carlo
  • zeolites

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Modelling and Simulation
  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Science(all)
  • Information Systems

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