Research

Computation: Materials Simulation Center (MSC)

The Materials Simulation Center (MSC) provides a facility for education and research on materials simulation for MRSEC researchers. 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 MRSEC experimentalist, the MSC can provide the information needed to add a simulation component to their work. For groups already working on materials simulation, the MSC is a natural environment for interaction and extension of existing simulation techniques.

The MSC provides access to hardware and software as well as consulting on materials simulation. For high performance computing the following clusters are available:

1. 120-node AMD Athlon U-racked dual processor cluster with 1Gb of RAM per node.
2. 176-node Intel P4 2U-racked dual processor cluster with 4Gb of RAM per node and a total of 2Tb of aggregate Hard Drive space.

The software provided by the MSC currently includes electronic structure and total energy codes like VASP, WIEN2k, GAMESS, Gaussian03, Cache, NWChem, and CPMD. Additionally, the center provides visualization software and facilities including a 3D stereo display.

For more information visit the Materials Simulation Center web page or contact the director of the Materials Simulation Center.