1. Introduction: Parallel Computing in Chemical Physics

   • Robert Harrison
   • Raymond Bair

   EditorialNotes Pages: 255 - 256

2. Towards a portable environment for FORTRAN applications on parallel computers

   • R. J. Allan

   OriginalPaper Pages: 257 - 269

3. Evaluation of the contribution from triply excited intermediates to the fourth-order perturbation theory energy on Intel distributed memory supercomputers

   • Alistair P. Rendell
   • Timothy J. Lee
   • Stephen Wilson

   OriginalPaper Pages: 271 - 287

4. An efficient implementation of the direct-SCF algorithm on parallel computer architectures

   • Martin Feyereisen
   • Rick A. Kendall

   OriginalPaper Pages: 289 - 299

5. Parallel direct SCF for large-scale calculations

   • M. E. Colvin
   • C. L. Janssen
   • C. H. Tong

   OriginalPaper Pages: 301 - 314

6. Harnessing the killer micros: Applications from LLNL's massively parallel computing initiative

   • James Belak

   OriginalPaper Pages: 315 - 323

7. Parallel processing forab initio total energy pseudopotential calculations

   • Lyndon J. Clarke

   OriginalPaper Pages: 325 - 334

8. Exact three-dimensional time-dependent wave packet calculations on the Connection Machine

   • David Chasman
   • Robert J. Silbey
   • Michael D'Mello

   OriginalPaper Pages: 335 - 342

9. Elimination of the diagonalization bottleneck in parallel Direct-SCF methods

   • Ron Shepard

   OriginalPaper Pages: 343 - 351

   

10. Computational considerations for the study of defects in solids

    • A. B. Kunz

    OriginalPaper Pages: 353 - 361

11. Moving beyond message passing. Experiments with a distributed-data model

    • Robert J. Harrison

    OriginalPaper Pages: 363 - 375

12. Performance visualization for parallel programs

    • Ewing Lusk

    OriginalPaper Pages: 377 - 384

13. Molecular dynamics on distributed memory (MIMD) parallel computers

    • W. Smith

    OriginalPaper Pages: 385 - 398

14. Simulation of condensed phases using the Distributed Array Processor

    • Michael P. Allen

    OriginalPaper Pages: 399 - 411

15. Where are embarrassingly parallel problems? The atom-diatom quasiclassical reactivity

    • Antonio Laganà
    • Osvaldo Gervasi
    • Raffaele Perego

    OriginalPaper Pages: 413 - 421

16. Parallelism in computational chemistry

    • M. F. Guest
    • P. Sherwood
    • J. H. van Lenthe

    OriginalPaper Pages: 423 - 441

17. Network supercomputing: A distributed-concurrent direct SCF scheme

    • Hans P. Lüthi
    • J. Almlöf

    OriginalPaper Pages: 443 - 455

18. Investigating the performance of parallel eigensolvers for large processor counts

    • Richard J. Littlefield
    • Kristyn J. Maschhoff

    OriginalPaper Pages: 457 - 473