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:
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.
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
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 977 pages. Available in PDF, EPUB and Kindle. Book excerpt: A clear illustration of how parallel computers can be successfully applied to large-scale scientific computations. This book demonstrates how a variety of applications in physics, biology, mathematics and other sciences were implemented on real parallel computers to produce new scientific results. It investigates issues of fine-grained parallelism relevant for future supercomputers with particular emphasis on hypercube architecture. The authors describe how they used an experimental approach to configure different massively parallel machines, design and implement basic system software, and develop algorithms for frequently used mathematical computations. They also devise performance models, measure the performance characteristics of several computers, and create a high-performance computing facility based exclusively on parallel computers. By addressing all issues involved in scientific problem solving, Parallel Computing Works! provides valuable insight into computational science for large-scale parallel architectures. For those in the sciences, the findings reveal the usefulness of an important experimental tool. Anyone in supercomputing and related computational fields will gain a new perspective on the potential contributions of parallelism. Includes over 30 full-color illustrations.
Download or read book Silicon Surfaces And Formation Of Interfaces Basic Science In The Industrial World written by Jarek Dabrowski and published by World Scientific. This book was released on 2000-05-25 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: Silicon, the basic material for a multibillion-dollar industry, is the most widely researched and applied semiconductor, and its surfaces are the most thoroughly studied of all semiconductor surfaces. Silicon Surfaces and Formation of Interfaces may be used as an introduction to graduate-level physics and chemical physics. Moreover, it gives a specialized and comprehensive description of the most common faces of silicon crystals as well as their interaction with adsorbates and overlayers. This knowledge is presented in a systematic and easy-to-follow way. Discussion of each system is preceded by a brief overview which categorizes the features and physical mechanisms before the details are presented. The literature is easily available, and the references are numerous and organized in tables, allowing a search without the need to browse through the text.Though this volume focuses on a scientific understanding of physics on the atomistic and mesoscopic levels, it also highlights existing and potential links between basic research in surface science and applications in the silicon industry. It will be valuable to anyone writing a paper, thesis, or proposal in the field of silicon surfaces.
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.
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.
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).
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.
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:
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.
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.
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:
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:
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:
Download or read book Separation of the Exchange correlation Potential Into Exchange Plus Correlation written by Claudia Filippi and published by . This book was released on 1996 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Towards a Better Exchange correlation Functional written by Claudia Filippi and published by . This book was released on 1996 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt:
