Subject: Parallel Comp Chem. Book

From: "Timothy G. Mattson" <[email-masked]>
Date: Thu, 29 Jun 95 11:39:06 PDT

<<<<  Here is a new book I thought this group would be interested
<<<<  in.  All profits from the book go to a good cause -- the 
>>>>  Computers in Chemistry Division of the ACS -- so we should 
>>>>  all buy several copies.
>>>>

       Parallel Computing in Computational Chemistry
       =============================================
                ACS Symposium Series # 592
       Edited by Timothy G. Mattson ([email-masked])

          Order from ACS by calling: 800-ACS-5558
             Cloth bound, 232 pages, Cost $69.95

This book explores the state of the art in parallel computing as
applied to computational chemistry.  The papers in the book range
from tutorials to discussions of the latest advanced algorithms.
While the seasoned parallel programmer will gain a great deal
from this book, an introduction to parallel computing is included
so novices will be able to read the book as well.

Contents
========

1. Parallel Computing, 
   T. G. Mattson

2.  Parallel Implementation of the Electronic Structure Code:
    GAMESS.  T. Windus M.W. Schmidt, and M.S. Gordon

3.  Applications of Parallel GAMESS.  K.K. Baldridge, M.S. Gordon, 
    J. H. Jensen, N. Matsunaga, M. Schmidt, T. Windus, J. A. Boatz
    and T. R. Cundari.

4. Object Oriented Implementation of Parallel ab initio Programs.
   C. L. Janssen, E.T. Seidl,  and M. Colvin 

5. Ab initial quantum chemistry on a workstation cluster.  D. Turner, 
   G. Trucks, and M. Frisch

6. Parallelization of a Multireference Configurations Interaction
   Program - the Parallel COLUMBUS Program, H. Lischka, H. Dachsel,
   R. Shepard, and R. J. Harrison.

7. Efficient Parallel Computation of Electron Transfer Resonance 
   Matrix Elements between GVB wavefunctions: Algorithm Design and 
   Chemical Results.  E. P. Bierwagon, T. R. Coley, and W. A. Goddard  

8. Promises and Perils of Parallel Semiempirical Quantum
    Methods, Kim Baldridge

9. Parallel Molecular dynamics Algorithms for Simulation of 
   molecular Systems
   S. Plimpton and B. Hencrickson

10. Portable Molecular Dynamics Software for Parallel Computing,
    T. Mattson and G. Ravishanker

11. Advanced Algorithms for Molecular Dynamics Simulation: The
    program PMD. A. Windemuth 

12. Parallelization of Poisson-Boltzmann and Brownian Dynamics 
    Calculations. A. Ilin, B. Bagheri, L. R. Scott, J. M. Briggs,
    and J. A. McCammon.

13. Classical and Quantum Molecular Dynamics Simulation on 
   Distributed memory Massively Parallel Computers. Z. Li, 
   R. B. Gerber, and  C.C. Martens

14. Biomolecular Structure Prediction Using the Double-Iterated
    Kalman Filter and Neural Networks. J. A. Lupo, S. B. Fairchild, 
    R. Pachter, and W. Adams