High Performance Computing And Its Applications In The Physical Sciences - Proceedings Of The Mardi Gras '93 Conference

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Publisher : World Scientific
ISBN 13 : 9814551554
Total Pages : 274 pages
Book Rating : 4.8/5 (145 download)

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Book Synopsis High Performance Computing And Its Applications In The Physical Sciences - Proceedings Of The Mardi Gras '93 Conference by : Dana Alan Browne

Download or read book High Performance Computing And Its Applications In The Physical Sciences - Proceedings Of The Mardi Gras '93 Conference written by Dana Alan Browne and published by World Scientific. This book was released on 1994-04-15 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: This archival volume is an invaluable collection of rigorously reviewed articles by experts in the fields of gene families, DNA, RNA and proteins, to commemorate the passing of a giant of science — Professor Clement L Markert (1917-1999).In 1959, Clement Markert and Freddy Moller developed the concept of the isozyme, which paved the way for extensive studies of enzyme, protein and gene multiplicity across all living organisms. This important scientific discovery has had a profound influence on the biological sciences for more than 40 years, and has provided the basis for regular international meetings to discuss the biological and biomedical implications of enzyme multiplicity. More recently, this concept has been extended to a wide range of gene families of DNA, RNA, proteins and enzymes.

Reviews in Computational Chemistry, Volume 17

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Publisher : John Wiley & Sons
ISBN 13 : 0471458813
Total Pages : 431 pages
Book Rating : 4.4/5 (714 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

H.R. 723

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Publisher :
ISBN 13 :
Total Pages : 144 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis H.R. 723 by : United States. Congress. House. Committee on Science. Subcommittee on Energy

Download or read book H.R. 723 written by United States. Congress. House. Committee on Science. Subcommittee on Energy and published by . This book was released on 2002 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Parallel Computing Works!

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Publisher : Elsevier
ISBN 13 : 0080513514
Total Pages : 1012 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Parallel Computing Works! by : Geoffrey C. Fox

Download or read book Parallel Computing Works! written by Geoffrey C. Fox and published by Elsevier. This book was released on 2014-06-28 with total page 1012 pages. Available in PDF, EPUB and Kindle. Book excerpt: A clear illustration of how parallel computers can be successfully appliedto large-scale scientific computations. This book demonstrates how avariety of applications in physics, biology, mathematics and other scienceswere implemented on real parallel computers to produce new scientificresults. It investigates issues of fine-grained parallelism relevant forfuture supercomputers with particular emphasis on hypercube architecture. The authors describe how they used an experimental approach to configuredifferent massively parallel machines, design and implement basic systemsoftware, and develop algorithms for frequently used mathematicalcomputations. They also devise performance models, measure the performancecharacteristics of several computers, and create a high-performancecomputing facility based exclusively on parallel computers. By addressingall issues involved in scientific problem solving, Parallel ComputingWorks! provides valuable insight into computational science for large-scaleparallel architectures. For those in the sciences, the findings reveal theusefulness of an important experimental tool. Anyone in supercomputing andrelated computational fields will gain a new perspective on the potentialcontributions of parallelism. Includes over 30 full-color illustrations.

Reviews in Computational Chemistry, Volume 6

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Publisher : John Wiley & Sons
ISBN 13 : 0470126108
Total Pages : 502 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 6 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 6 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 6 of the successful series 'Reviews in Computational Chemistry' contains articles of interest to pharmaceutical chemists, biological chemists, chemical engineers, inorganic and organometallic chemists, synthetic organic chemists, polymer chemists, and theoretical chemists. The series is designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise.

Recent Developments and Applications of Modern Density Functional Theory

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Publisher : Elsevier
ISBN 13 : 0080540392
Total Pages : 863 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Recent Developments and Applications of Modern Density Functional Theory by : Jorge M. Seminario

Download or read book Recent Developments and Applications of Modern Density Functional Theory written by Jorge M. Seminario and published by Elsevier. This book was released on 1996-11-18 with total page 863 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials.The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.

Electronic Density Functional Theory

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Publisher : Springer Science & Business Media
ISBN 13 : 148990316X
Total Pages : 384 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Electronic Density Functional Theory by : John F. Dobson

Download or read book Electronic Density Functional Theory written by John F. Dobson and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap proximation of 1965 and immediate extensions) represented the state of the art in DFT. This approach was widely used for its appealing simplicity and computability, but gave rather modest accuracy. In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang).

Density Functional Theory

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Publisher : Springer Science & Business Media
ISBN 13 : 1475799756
Total Pages : 674 pages
Book Rating : 4.4/5 (757 download)

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Book Synopsis Density Functional Theory by : Eberhard K.U. Gross

Download or read book Density Functional Theory written by Eberhard K.U. Gross and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 674 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first Nato Advanced Studies Institute entirely devoted to density functional theory was held in Portugal in September 1983. The proceedings of this School, publis hed in early 1985, is still used as a standard reference covering the basic development of the theory and applications in atomic, molecular, solid state and nuclear physics. Ho wever, astonishing progress has been achieved in the intervening years: The foundations of the theory have been extended to cover excited states and time dependent problems more fully, density functional theory of classical liquids and superconducting systems has been addressed and extensions to relativistic, that is, field theoretical systems, as well as a more thorough discussion of magnetic field problems have been presented. In addition, new functionals have been devised, for instance under the heading of ge neralised gradient expansions, and the number of applications in the traditional fields has steadily increased, in particular in chemistry. Applications in new fields, as for instance the structure of atomic clusters and the marriage of density functional theory with molecular dynamics and simulated annealing, have provided additional impetus to the field of density functional theory.

Publications in Engineering

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Publisher :
ISBN 13 :
Total Pages : 644 pages
Book Rating : 4.:/5 (334 download)

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Book Synopsis Publications in Engineering by :

Download or read book Publications in Engineering written by and published by . This book was released on 1996 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules

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Publisher : Springer Science & Business Media
ISBN 13 : 354045621X
Total Pages : 595 pages
Book Rating : 4.5/5 (44 download)

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Book Synopsis Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules by : C. Guet

Download or read book Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules written by C. Guet and published by Springer Science & Business Media. This book was released on 2003-07-01 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focused on basic science, this book reviews experiments on metal clusters in two long pedagogically written articles. Interested readers will also find articles ranging from density functional theory to computer simulations of cluster dynamics.

Reviews in Computational Chemistry, Volume 26

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Publisher : John Wiley & Sons
ISBN 13 : 0470399538
Total Pages : 570 pages
Book Rating : 4.4/5 (73 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 26 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 26 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2008-11-19 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This series is essential in keeping those individuals involved in these fields abreast of recent developments in computational chemistry.

The Information Age

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Publisher :
ISBN 13 :
Total Pages : 756 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis The Information Age by : David Stephen Alberts

Download or read book The Information Age written by David Stephen Alberts and published by . This book was released on 2004 with total page 756 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Information Age: An Anthology on Its Impacts and Consequences was originally prepared by The Center for Advanced Concepts, Technologies, and Information Strategies of the Institute for National Strategic Studies, National Defense University. The original four volumes have been combined into one volume for this printing. They are: Part One: The Information and Communication Revolution Part Two: Business, Commerce, and Services Part Three: Government and the Military Part Four: International Affairs

The Information Age: pt. 1. The information and communication revolution

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Publisher :
ISBN 13 :
Total Pages : 248 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis The Information Age: pt. 1. The information and communication revolution by : David Stephen Alberts

Download or read book The Information Age: pt. 1. The information and communication revolution written by David Stephen Alberts and published by . This book was released on 1997 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Information Age: An Anthology on Its Impacts and Consequences was originally prepared by The Center for Advanced Concepts, Technologies, and Information Strategies of the Institute for National Strategic Studies, National Defense University. The original four volumes have been combined into one volume for this printing. They are: Part One: The Information and Communication Revolution Part Two: Business, Commerce, and Services Part Three: Government and the Military Part Four: International Affairs

High Performance Computing and Its Applications in the Physical Sciences

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Publisher : World Scientific Publishing Company Incorporated
ISBN 13 : 9789810217402
Total Pages : 264 pages
Book Rating : 4.2/5 (174 download)

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Book Synopsis High Performance Computing and Its Applications in the Physical Sciences by : Dana A. Browne

Download or read book High Performance Computing and Its Applications in the Physical Sciences written by Dana A. Browne and published by World Scientific Publishing Company Incorporated. This book was released on 1994 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt:

All-electron Study of Gradient Corrections to the Local Density Functional in Metallic Systems

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Publisher :
ISBN 13 :
Total Pages : 18 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis All-electron Study of Gradient Corrections to the Local Density Functional in Metallic Systems by : Alexander Khein

Download or read book All-electron Study of Gradient Corrections to the Local Density Functional in Metallic Systems written by Alexander Khein and published by . This book was released on 1994 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Density Functional Theory of Classical and Quantum Inhomogeneous Systems

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Publisher :
ISBN 13 :
Total Pages : 336 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis Density Functional Theory of Classical and Quantum Inhomogeneous Systems by : Alexander Khein

Download or read book Density Functional Theory of Classical and Quantum Inhomogeneous Systems written by Alexander Khein and published by . This book was released on 1997 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Electronic Structure and Nuclear Magnetic Resonance Chemical Shift of Solids and Surfaces

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Publisher :
ISBN 13 :
Total Pages : 248 pages
Book Rating : 4.:/5 (34 download)

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Book Synopsis Electronic Structure and Nuclear Magnetic Resonance Chemical Shift of Solids and Surfaces by : Bernd Georg Pfrommer

Download or read book Electronic Structure and Nuclear Magnetic Resonance Chemical Shift of Solids and Surfaces written by Bernd Georg Pfrommer and published by . This book was released on 1998 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: