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Numerical Methods For Molecular Dynamics Final Report August 1 1993 January 31 1996
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Book Synopsis Numerical Methods for Molecular Dynamics. Final Report, August 1, 1993--January 31, 1996 by :
Download or read book Numerical Methods for Molecular Dynamics. Final Report, August 1, 1993--January 31, 1996 written by and published by . This book was released on 1997 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this research is to explore ideas for more efficient numerical integrators for molecular dynamics (MD) and where needed to develop appropriate theoretical tools. Emphasis is on macromolecules and techniques suitable for implementation in the biomolecular dynamics program NAMD. Listed on this report are the main accomplishments during the past two or so years. First are listed algorithmic developments suitable for implementation. Second are listed more theoretical developments helpful for further exploration of new algorithms.
Book Synopsis Numerical Methods for Molecular Dynamics. [Annual Report, April 1, 1991--March 31, 1993]. by :
Download or read book Numerical Methods for Molecular Dynamics. [Annual Report, April 1, 1991--March 31, 1993]. written by and published by . This book was released on 1993 with total page 19 pages. Available in PDF, EPUB and Kindle. Book excerpt: The objective is to find numerical algorithms suitable for large parallel computers that can much more efficiently model the dynamics of macromolecules such as proteins, DNA, and lipids. Emphasis is on the use of integration schemes, notably symplectic schemes, that can use large time steps to produce qualitatively correct simulations for long-time integrations. The goal is to obtain the desired information with the least computational effort, and the methodology is to use mathematical analysis and computational experiments on model problems. The techniques developed are to be tested on realistic molecular models as part of a different, complementary research project involving software development. Among the techniques to be considered, the better known ones are multiple time steps, constraint dynamics, and fast Coulomb solvers.
Book Synopsis Monthly Catalog of United States Government Publications by :
Download or read book Monthly Catalog of United States Government Publications written by and published by . This book was released on 1995 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Monthly Catalogue, United States Public Documents by :
Download or read book Monthly Catalogue, United States Public Documents written by and published by . This book was released on 1995 with total page 1036 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1993 with total page 666 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes all works deriving from DOE, other related government-sponsored information and foreign nonnuclear information.
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Book Synopsis Special Purpose Computers by : Berni J. Alder
Download or read book Special Purpose Computers written by Berni J. Alder and published by Academic Press. This book was released on 2014-05-10 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Special Purpose Computers describes special-purpose computers and compares them to general-purpose computers in terms of speed and cost. Examples of computers that were designed for the efficient solution of long established algorithms are given, including Navier-Stokes hydrodynamic solvers, classical molecular dynamic machines, and Ising model computers. Comprised of seven chapters, this volume begins by documenting the progress of the CalTech Concurrent Computation Program and its evolution from computational high-energy physics to a supercomputer initiative, with emphasis on the lessons learned including computer architecture issues and the trade-offs between in-house and commercial development. The reader is then introduced to the QCD Machine, a special-purpose parallel supercomputer that was designed and built to solve the lattice quantum chromodynamics problem. Subsequent chapters focus on the Geometry-Defining Processors and their application to the solution of partial differential equations; the Navier-Stokes computer; parallel processing using the Loosely Coupled Array of Processors (LCAP) system; and the Delft Ising system processor. The design and implementation of the Delft molecular-dynamics processor are also described. This book will be of interest to computer engineers and designers.
Book Synopsis Index of Conference Proceedings by : British Library. Document Supply Centre
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Book Synopsis Amphibian Declines by : Michael J. Lannoo
Download or read book Amphibian Declines written by Michael J. Lannoo and published by Univ of California Press. This book was released on 2005-06-15 with total page 1124 pages. Available in PDF, EPUB and Kindle. Book excerpt: Documents in comprehensive detail a major environmental crisis: rapidly declining amphibian populations and the disturbing developmental problems that are increasingly prevalent within many amphibian species.
Book Synopsis Publications of the National Institute of Standards and Technology ... Catalog by : National Institute of Standards and Technology (U.S.)
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Book Synopsis Future Aerospace Technology in the Service of the Alliance: Sustained hypersonic flight by :
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