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NCSA to host free NWChem workshop

The National Center for Supercomputing Applications (NCSA) will host a free workshop on the use of NWChem on high-performance computing systems Dec. 1-2, 2010, in Urbana, Illinois.

NWChem is a computational chemistry package developed and maintained by the Environmental Molecular Sciences Laboratory at the Pacific Northwest National Laboratory in Washington State. It can be used to perform electronic structure calculations on molecular and periodic systems as well as classical molecular dynamics simulations. It is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters.

This workshop is aimed at new and experienced users of NWChem. Basic knowledge of computational chemistry is desirable. A hands-on approach will be adopted and participants will have the opportunity to explore the various capabilities as well as interact with NWChem developers present at the tutorial sessions. Users and developers interested in developing and implementing new capabilities in NWChem are also welcome.

For complete information and to register, go to

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