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Molecular Science Computing FacilityThe MSCF supports a wide range of computational activities in environmental molecular research, from benchmark calculations on small molecules to reliable calculations on large molecules and solids to simulations of large biomolecules, as well as reactive chemical transport modeling. The MSCF provides an integrated production computing environment, with links to external facilities within the Department of Energy, collaborating universities, and industry.
The facility consists of a High Performance Computing Center and a Graphics and Visualization Laboratory. A wide range of software is available, including the award winning Molecular Science Software Suite--MS3.
Details and Links
| High Performance Computing Center | Home of the MSCF parallel supercomputers |
|---|---|
| Molecular Science Software Suite | Award-winning software for molecular modeling on high performance computers: Ecce, NWChem, and ParSoft |
| Scientific Consulting | Who to contact for assistance in using applications software, programming, getting refunds |
| Graphics and Visualization Laboratory | Facility and resources for viewing and analyzing results of complex data sets and the location of the EMSL Access Grid Node. |
| Partners and Related Links | Organizations related to the MSCF in high performance computing and software development |
| Research | Projects being performed using MSCF resources - Computational Grand Challenges - Research and Award Library |
| Highlights | Special accomplishments of the MSCF staff and users |