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© 1999

Computational Molecular Dynamics: Challenges, Methods, Ideas

Proceedings of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21–24, 1997

  • Peter Deuflhard
  • Jan Hermans
  • Benedict Leimkuhler
  • Alan E. Mark
  • Sebastian Reich
  • Robert D. Skeel
Conference proceedings

Part of the Lecture Notes in Computational Science and Engineering book series (LNCSE, volume 4)

Table of contents

  1. Enhanced Time-Stepping Algorithms

  2. Quantum-Classical Simulations

  3. Parallel Force Field Evaluation

    1. Front Matter
      Pages 457-457
    2. John A. Board Jr., Christopher W. Humphres, Christophe G. Lambert, William T. Rankin, Abdulnour Y. Toukmaji
      Pages 459-471
    3. James C. Phillips, Robert Brunner, Aritomo Shinozaki, Milind Bhandarkar, Neal Krawetz, Attila Gursoy et al.
      Pages 472-482
    4. Daniel Okunbor, Ravi Murty
      Pages 483-494
  4. Back Matter
    Pages 495-498

About these proceedings

Introduction

On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics.
The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.

Keywords

Approximation Potential Radiologieinformationssystem algorithms statistics

Editors and affiliations

  • Peter Deuflhard
    • 1
  • Jan Hermans
    • 2
  • Benedict Leimkuhler
    • 3
  • Alan E. Mark
    • 4
  • Sebastian Reich
    • 5
  • Robert D. Skeel
    • 6
  1. 1.Konrad-Zuse-Zentrum Berlin (ZIB)Berlin-DahlemGermany
  2. 2.Department of Biochemistry and BiophysicsUniversity of North CarolinaChapel HillUSA
  3. 3.Department of MathematicsUniversity of KansasLawrenceUSA
  4. 4.Laboratorium für Physikalische Chemie ETH ZentrumZürichSwitzerland
  5. 5.Department of Mathematics and StatisticsUniversity of SurreyGuildford, SurreyUK
  6. 6.Department of Computer ScienceUniversity of IllinoisUrbanaUSA

Bibliographic information

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