Ebook: Parallel Computing in Computational Chemistry

Content: Parallel computing / Timothy G. Mattson --
Parallel implementation of the electronic structure code GAMESS / Theresa L. Windus, Michael W. Schmidt, and Mark S. Gordon --
Applications of parallel GAMESS / Kim K. Baldridge, Mark S. Gordon, Jan H. Jensen, Nikita Matsunaga, Michael W. Schmidt, Theresa L. Windus, Jerry A. Boatz, and Thomas R. Cundari --
Object-oriented implementation of parallel ab initio programs / C.L. Janssen, E.T. Seidl, and M.E. Colvin --
Ab initio quantum chemistry on a workstation cluster / David P. Turner, Gary W. Trucks, and Michael J. Frisch --
The parallelization of a general ab initio multireference configuration interaction program : the COLUMBUS program system / Hans Lischka, Holger Dachsel, Ron Shepard, and Robert J. Harrison --
Parallel calculation of electron-transfer and resonance matrix elements of Hartree-Fock and generalized valence bond wave functions / Erik P. Bierwagen, Terry R. Coley, and William A. Goddard, III --
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, Babak Bagheri, L. Ridgway Scott, James M. Briggs, and J. Andrew McCammon --
Classical and quantum molecular dynamics simulation on distributed-memory massively parallel computers / Zhiming Li, R. Benny Gerber, and Craig C. Martens --
Biomolecular structure prediction using the double-iterated Kalman filter and neural networks / James A. Lupo, Ruth Pachter, Steven B. Fairchild, and W. Wade Adams.