Title and abstract for

Overview of NPAC Research in Computational Chemistry

Given by David Bernholdt at Visit by CEWES Team on Mar 25 1997. Foils prepared April 5 97
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Use of computational simulations to better understand, interpret, and predict chemical phenomena.
Current work includes
  • Application of existing tools to interesting chemical problems
  • Development of new tools to expand the range of systems we can study
The desire to effectively utilize massively parallel computers drives much of the development work
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