Parallel Computing in Computational Chemistry

Parallel computing, Timothy G. Mattson; parallel implementation of the electronic structure code GAMESS, Theresa L. Windus et al; applications of parallel GAMESS, Kim K. Baldridge et al; object-oriented implementation of parallel ab initio programs, C.L. Janssen et al; ab initio quantum chemistry on a workstation cluster, David P. Turner et al; the parallelization of a general ab initio multireference configuration interaction program - the COLUMBUS program system, Hans Lischka et al; parallel calculation of electron-transfer and resonance matrix elements of Hartree-Fock and generalized valence bond wave functions, Erik P. Bierwagen et al; promises and perils of parallel semiempirical quantum methods, Kim K. Baldridge; parallel molecular dynamics algorithms for simulation of molecular systems, Steve Plimpton and Bruce Hendrickson; portable molecular dynamics software for parallel computing, Timothy G. Mattson and Ganesan Ravishanker; advanced algorithms for molecular dynamics simulation - the program PMD, Andreas Windemuth; parallelization of Poisson-Boltzmann and Brownian dynamics calculations, Andrew Ilin et al; classical and quantum molecular dynamics simulation on distributed-memory massively parallel computers, Zhiming Li et al; biomolecular structure prediction using the double-iterated Kalman filter and neural networks, James A. Lupo et al.