Introduction: Parallel Computing in Chemical Physics Robert HarrisonRaymond Bair EditorialNotes Pages: 255 - 256
Towards a portable environment for FORTRAN applications on parallel computers R. J. Allan OriginalPaper Pages: 257 - 269
Evaluation of the contribution from triply excited intermediates to the fourth-order perturbation theory energy on Intel distributed memory supercomputers Alistair P. RendellTimothy J. LeeStephen Wilson OriginalPaper Pages: 271 - 287
An efficient implementation of the direct-SCF algorithm on parallel computer architectures Martin FeyereisenRick A. Kendall OriginalPaper Pages: 289 - 299
Parallel direct SCF for large-scale calculations M. E. ColvinC. L. JanssenC. H. Tong OriginalPaper Pages: 301 - 314
Harnessing the killer micros: Applications from LLNL's massively parallel computing initiative James Belak OriginalPaper Pages: 315 - 323
Parallel processing forab initio total energy pseudopotential calculations Lyndon J. Clarke OriginalPaper Pages: 325 - 334
Exact three-dimensional time-dependent wave packet calculations on the Connection Machine David ChasmanRobert J. SilbeyMichael D'Mello OriginalPaper Pages: 335 - 342
Elimination of the diagonalization bottleneck in parallel Direct-SCF methods Ron Shepard OriginalPaper Pages: 343 - 351
Computational considerations for the study of defects in solids A. B. Kunz OriginalPaper Pages: 353 - 361
Moving beyond message passing. Experiments with a distributed-data model Robert J. Harrison OriginalPaper Pages: 363 - 375
Molecular dynamics on distributed memory (MIMD) parallel computers W. Smith OriginalPaper Pages: 385 - 398
Simulation of condensed phases using the Distributed Array Processor Michael P. Allen OriginalPaper Pages: 399 - 411
Where are embarrassingly parallel problems? The atom-diatom quasiclassical reactivity Antonio LaganàOsvaldo GervasiRaffaele Perego OriginalPaper Pages: 413 - 421
Parallelism in computational chemistry M. F. GuestP. SherwoodJ. H. van Lenthe OriginalPaper Pages: 423 - 441
Network supercomputing: A distributed-concurrent direct SCF scheme Hans P. LüthiJ. Almlöf OriginalPaper Pages: 443 - 455
Investigating the performance of parallel eigensolvers for large processor counts Richard J. LittlefieldKristyn J. Maschhoff OriginalPaper Pages: 457 - 473
