Multigrid Electrostatic Computations in Density Functional Theory
Many systems of biophysical interest require quantum mechanical simulation techniques for an accurate physical description or elucidation of the phenomena guiding their dynamical evolution. Often these techniques offer the only avenue of study due to the
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Les Houches Workshop, May 2-7, 1995
Editors Dominique BICOUT Martin FIELD
Springer-Verlag Berlin Heidelberg GmbH
Centre de physiquedes Houches Books already published in this series: Porous Silicon Science and Technology Jean-Claude VIAL and Jacques DERRIEN, Eds. 1995 Nonlinear Exitations in Biomolecules Michel PEYRARD, Ed. 1995 Beyond Quasicrystals Franr;oise AXEL and Denis GRATIAS, Eds. 1995
Book series coordinated by Michele LEDUC
ISBN 978-3-540-60869-1 ISBN 978-3-662-09638-3 (eBook) DOI 10.1007/978-3-662-09638-3
This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concemed, specifically the rights of translation, reprinting, re-use of illustrations, recitation, broad-casting, reproduction on microfilms or in other ways, and storage in data banks. Duplication of this publication or parts thereof is only permitted under the provisions of the French and German Copyright laws of March 11, 1957 and September 9, 1965, respectively. Violations falI under the prosecution act of the French and German Copyright Laws.
© Springer-Verlag Berlin Heidelberg
1996 Originally published by Springer-Verlag Berlin Heidelberg New York in 1996
LECTURERS
Berendsen Herman, Boison Research Institute, Department of Biophysical Chemistry, University of Groningen Nijenborgh 16, 9747AG Groningen, The Netherlands. Handy Nicholas, St. Catharine's College, Cambridge, CB2 lRL, United Kingdom. Hynes J. T., Department of Chemistry, University of Colorado, Boulder, Colorado 80309, USA. Lesyng Bogdan, Department of Biophysics, University of Warsaw, 93 Zwirki & Wigury St., 02-089 Warszawa, Poland. Moser C.C., Johnson Research Foundation, University of Pennsylvania, B501 Richards Building, Philadelphia, PA 19104-6089, USA. Onuchic Jose, Department of Physics, University of California, San Diego, La Jolla CA 92093-0319, USA. Parrinello Michele, Max-Planck Institut fr Festkrperforschung, Heisenbergstr. 1, 70506 Stuttgart, Germany. St. Amant Alain, Department of Chemistry, University of Ottawa, 10, Marie Curie, Ottawa, Ontario, KIN 6N5, Canada. Schulten Klaus, Beckman Institute and Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA. Warshel Arieh, Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA. Zerner Michael, Quantum theory project, University of Florida, Gainesville, FL 3261, USA.
ORGANIZING COMMITTEE
Field Martin and Bicout Dominique, Institut de Biologie Structurale, Laboratoire de Dynamique Molculaire, 41 avenue des Martyrs, 38027 Grenoble Cedex 1, France.
PREFACE
Modern molecular biology, which dates from the discovery of the double helical structure of DNA by Watson and Crick in 1953, has as its goal the understanding of biological phenomena at the molecular level. This involves the study of the structure of biomacromolecules, such as nucleic acids and proteins, and their functions which include how they interact, their reactions and how information is transmitted between them. It is now generall
