Purchase of Parallel Computer for Chemistry Research

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This award from the Chemistry Research Instrumentation and Facilities Program will assist the Department of Chemistry at the Northwestern University in the purchase of a distributed memory parallel computer. This equipment will enhance research in a number of areas including the following: parallelized local-density and density functional electronic structure calculations, parallel scattering calculations, dynamical mean-field studies and molecular dynamics calculations. A workstation network of fast, modern computer workstations is a new way to satisfy the computing needs of chemistry departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, and provides state-of-the-art graphics and visualization facilities.