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Welcome to the Materials Simulation Center web site!

Welcome to our home page. In this page you will find news and events related to Materials Simulation at Penn State. Feel free to use the menu on the left to explore our facilities.


Quantum Espresso 2012 Workshop


Coming up .. On June/2012  .. a workshop on the Quantum Espresso suite given by developers of the codes themselves!


Minicourse on Density Functional Theory and its Plane Waves Implementation: VASP and Quantum Espresso (March-April 2012)


A Density Functional Theory review and hands-on training on the VASP and Quantum Espresso codes.


HPC Essentials (March-April 2012)


A series of seminars on High Performance Computing topics ranging from Linux commands to parallel programming.


Materials Simulation Lectures 2011-2012


The Materials Simulation Lecturers for Fall 2011 / Spring 2012 have been selected!

Details can be found in our Materials Simulation Lectures page.


Recent Events

WEIN idWIEN2011 WORKSHOP

June 28 - July 1, 2011
The Pennsylvania State University
316 Hammond Building
State College, Pennsylvania
Organized by:Materials Simulation Center


For further information about the program and registration information, please check out at http://www.mri.psu.edu/conferences/wien/index.asp




Materials Studio

"Materials Studio" from Accelrys Inc.


Materials Studio is a high performance, multi-scale modeling, and simulation software suite for chemicals and materials research. Brought to you by the Materials Simulation Center and the Research Computing and Cyberinfrastructure unit of Penn State ITS.

 

Materials Studio Overview

Materials Studio is a comprehensive materials modeling and simulation application designed for scientists in chemicals and materials R&D as well as pharmaceuticals development.  Materials Studio reduces the time needed to solve complex calculations with:

  • Industry-leading graphical user environments
  • State-of-the-art simulation technology from quantum to atomistic to mesoscale
  • Powerful statistical tools for structure-property relationships

Materials Studio provides a comprehensive set of scientific capabilities for modeling crystal structure and crystallization processes; for property prediction for molecules, polymers, catalysts, and other materials; and for the development of structure-activity relationships.

With Materials Studio you can:

  • Reduce the number of costly and often lengthy experiments needed to bring a product to market
  • Minimize the time needed to set up and solve complex calculations
  • Make well-informed decisions in research on a wide range of systems including catalysts, polymers, specialty chemicals, advanced materials and drug development

Please contact MSCHelp for access and trial of Materials Studio.

  • LION-XJ High-performance Computer Cluster

Applications to access the MSC resource at LION-XJ should contact MSCHelp with a description of the project and size of the resource required.