Scientific Application – Materials Studio

Overview

Materials Studio® is a software environment that brings the world’s most advanced and validated materials simulation technology to desktop computing, solving key problems throughout the R&D process. Offering advanced visualization tools and access to the complete range of computational materials science methods, Materials Studio is designed for structural and computational researchers in chemicals and materials R&D who need to perform expert-level modeling and simulations tasks in an easy-to-learn yet powerful environment. Materials Studio contains tools useful for applications in Crystallization, Polymers and Classical Simulations, Quantum Mechanics and Catalysis, and Statistics.

Operating System: Windows XP Professional (SP3), Windows Vista (SP2)
Default Version: 7.0
Installed Version(s): 5.5.3, 6.0, 6.1, 7.0

Installing Materials Studio on a Windows Machine

Materials Studio is a Windows executable. Research Computing provides the installation binary for users of Research Computing servers:

  • The binary for Materials Studio can be copied from Research Computing cluster to your Windows machine from:
/nas02/apps/materialstudio-6.1/dist/MaterialsStudio.exe

Once the binary is downloaded, double-click the file to unpack the installation executable.

  • Run the Autorun program in the unpacked directory to start installation.
  • Once Materials Studio is installed, make the license manager point to the following license server for campus users: license0.its.unc.edu,license1.its.unc.edu,license2.its.unc.edu    port number: 1715.
  • More information regarding installation of Materials Studio can be found in the README_Materials_Studio document in the upacked installation directory.

Notes

  • It is possible to run CASTEP and DMol3 in parallel up to 8 CPU’s on Kure and up to 12 CPU’s on KillDevil. If you are interested in running either of these programs on the Research Computing clusters, please contact the Research Computing group at research@unc.edu and we will assist you with using this software in parallel.

Links

  • Materials Studio main information page and application areas from Accelrys.
  • Details of programs installed in Materials Studio from Accelrys.
  • Case studies of applications of Materials Studio applied to a variety of fields.
  • Information regarding training for Materials Studio offered by Accelrys. Research users will sometimes receive emails regarding Accelrys training for Materials Studio offered specifically for UNC.  Email research@unc.edu for questions.

Additional Help

Research Computing home page

 

Notes

 

  • It is possible to run CASTEP and DMol3 in parallel (up to 8 CPU) on KillDevil. If you are interested in running either of these programs on KillDevil, please contact the Research Computing group at research@unc.edu and we will assist you with using this software in parallel on KillDevil.

 

Links

 

  • Materials Studio main information page and application areas from Accelrys.
  • Details of programs installed in Materials Studio from Accelrys.
  • Case studies of applications of Materials Studio applied to a variety of fields.
  • Information regarding training for Materials Studio offered by Accelrys. KillDevil users will sometimes receive emails regarding Accelrys training for Materials Studio offered specifically for UNC. Email research@unc.edu for questions.

 

Additional Help

 

Research Computing home page