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Department of Chemical Engineering, University of Bath

Music links

• Music Tutorial

• Music pages at Northwestern

• Music documentation at Northwestern

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Music (Multipurpose simulation code)

Music is a multipurpose simulation code for molecular modelling developed by Randy Snurr's group at Northwestern University. Its object orientated programming design concepts are described in detail in A. Gupta, S. Chempath, M.J. Sanborn, L.A. Clark, R.Q. Snurr "Object-orientated programming paradigms for molecular modeling", Molecular Simulation, 2003, 29(1), 29 - 46. Its object oriented design hopes to achieve two goals:

1. simplify the process of adding new features to the code through the use of new objects, and
2. make the code easier to understand and, thus, more accessible and useful to the simulation community.

A copy of music is available from Randy Snurr unter the General Public Licence. Have a look at the music webpages at Northwestern University for more information. In general there are two types of people who might want to use MUSIC:

1. Those who want to quickly run some simulations of the types already implemented in music.
2. Those who want to develop their own simulation code starting from an existing code.

Music tutorial

A good starting point if you want to use MUSIC for the first time is a tutorial that Roddy Ritchie wrote as part of his 5th year Chemical Engineering research project in 2005 / 2006. It explains in detail how to set up a GCMC simulation to simulate the adsorption of methane in IRMOF1 (also known as MOF5). All necessary files that are needed to run the simulation can be downloaded and explanations of the important variables and parameters are provided.

Music documentation

Detailed documentation for MUSIC can be found at Northwestern University. The documentations contains an overview of the different types of simulations that Music is capable of executing as well as further example files (for the slightly advanced user) and explanations for music developers.