Mission
The Materials Simulation Center is a facility for education and research on materials simulation. It is designed to function as a hub to connect experimental and simulation activities through the organization of collaborative projects, short courses and workshops. For the experimentalist, the Center will provide the information needed to add a simulation component to their work. For groups already working on materials simulation, the Center will be a natural environment for interaction and extension of existing simulation techniques.
Current Events
Applications to access the MSC resource at LION-XJ should contact MSCHelp with a description of the project and size of the resource required.
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Presented by: Dr. Shyam Vyas (Accelrys Inc.)
• Recent advances in hardware capabilities and improvements in software have lead to an increased interest in the application of molecular modelling in the materials science arena. Traditionally the preserve of the life sciences, molecular modelling has been successfully applied to a range of different materials science applications; including fuel cells, catalysts, glasses and polymers.
• The development of integrated modelling packages, which combine a graphical user interface with an arsenal of computational techniques, allows the non-theorist to use these approaches in their research. However, it is not always clear which tool is applicable and how to tackle complex experimental problems with computation.
• The present seminar and training tries to help with such issues. The morning will consist of an overview of some recent modelling applications in the areas of amorphous materials (polymers and glasses) and solid state materials (crystals, surfaces and catalysis) followed by an open session. The afternoon is devoted to ‘hands on’ where users can cover the basic aspects of the Materials Studio software environment. There will also be ample time for attendees to discuss approaches for tackling materials problems with molecular modelling.
Tuesday, September 30th, 2008 9:00 a.m. to 5:00 p.m. Location: Penn Stater
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The Coming "Materials Simulation Lecture Series".
This semester the MSC will work with other Departments to host "Materials Simulation Lecture Series".
• Prof. Peter Cummings from Vanderbilt University will be presenting at MatSE Colloquium on October 2.
“Many-Scale and Multi-Scale Modeling in Computational Nanoscience”
Theory, modeling and simulation (TMS) tools constitute key enabling technologies for making fundamental advances in nanoscience and for making nanotechnology a practical reality. Many of the problems encountered in this field are inherently multiscale. In this talk, we provide an overview of the role of TMS in nanoscience, as well as an overview of our many-scale and multiscale TMS research in nanotribology, molecular electronics, and hybrid organic-inorganic nanocomposites.
October 2, 2008, 10:10 a.m. 26 Hosler Building
• Prof. Troy Van Voorhis from MIT will be presenting at Physical Chemistry seminar on Friday October 10.
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Staff
