1 | Parallelization of MOPAC |
2 | Development of novel approaches to the MP2 problem suitable to large-scale calculations on MPPs |
3 | Parallel I/O in the SCF method (NWU, UIUC) |
4 | Parallel CCSD energy and gradients (PNNL) |
5 | DOE Grand Challenge "Computational Chemistry of Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides" (PNNL, ANL, Eloret Inst., OSU, Duke, UT-Austin) |
6 | Various applications (PNNL, SU Chemistry) |