Materials Studio is a materials modeling and simulation software package for predicting material’s atomic and molecular structure with its properties and behavior. Materials Studio can be used to run simulation for various type of materials such as pharmaceuticals, catalysts, polymers and composites, metals and alloys, batteries and fuel cells, etc. A new license scheme have been introduced for Materials Studio software package. With the introduction of the new license scheme, the benefits bring to the users include the follows:

1. Single user can run compute jobs on an unlimited number of computer processors cores for a single job, provided that the number of simultaneous users does not exceed the number of licenses allotted for that particular module.
2. MS Academic base license provides tools for building, manipulating, viewing, and analyzing atomistic and mesoscale models.
3. Apart from Amorphous Cell, new licenses are added to the following modules in the Materials Standard Classical & Mesoscale modules which Includes the follows: Adsorption Locator, Blends, Compass Parallel, GULP Interface and GULP Parallel, Mesocite, Mesodyn Interface and Mesodyn, Sorption, and Synthia.
4. Apart from the original CASTEP interface and CASTEP, and DMol3 interface and DMol3 Solid State Parallel modules, new licenses are brought in for many Materials Studio Standard Quantum modules, which include DFTB+, NMR CASTEP Parallel, ONETEP interface and ONETEP, QMERA Interface and QMERA, GULP Interface and GULP.

Details of running MaterialsStudio on the HPC systems can be found in this HPC web page: https://nusit.nus.edu.sg/services/hpc/application-software/material-studio.

A two-day workshop and training session will be conducted at the end of September this year. The session will cover all the above modules and detailed instructions will be given on how to make use of these software modules during the two-day workshop. Please watch out the workshop announcement in mid-September.