Basic HTML version of Foils prepared April 5 97

Foil 3 Projects Underway or Anticipated

From Overview of NPAC Research in Computational Chemistry Visit by CEWES Team -- Mar 25 1997. by David Bernholdt *
Parallelization of MOPAC
Development of novel approaches to the MP2 problem suitable to large-scale calculations on MPPs
Parallel I/O in the SCF method (NWU, UIUC)
Parallel CCSD energy and gradients (PNNL)
DOE Grand Challenge "Computational Chemistry of Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides" (PNNL, ANL, Eloret Inst., OSU, Duke, UT-Austin)
Various applications (PNNL, SU Chemistry)

© Northeast Parallel Architectures Center, Syracuse University, npac@npac.syr.edu

If you have any comments about this server, send e-mail to webmaster@npac.syr.edu.

Page produced by wwwfoil on Thu Aug 14 1997