Molecular Modeling Task Force Update

Monday, November 17, 2008: 10:00 AM
Room 201-A (Pennsylvania Convention Center)

David A. Kofke, Chemical and Biological Engineering, University of Buffalo, Buffalo, NY

We review recent activities of the CAChE Molecular Modeling Task Force. One such activity is the development of interactive molecular simulation modules for instructional purposes, and we review the project and discuss some of the recently completed modules as well as others still under development. We also describe an effort to develop a molecular simulation Application Programming Interface that can be used to facilitate interoperability of different molecular simulation code bases.
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