Computing With Cells And Atoms
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Computing With Cells And Atoms
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Author : Cris Calude
language : en
Publisher: CRC Press
Release Date : 2000-10-26
Computing With Cells And Atoms written by Cris Calude and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-10-26 with Mathematics categories.
At the turning of the millennium, a switch in computing technology is forecasted and looked for. Two main directions of research, both based on quite unconventional ideas are most promising - quantum computing and molecular computing. In the last few years, both of these methods have been intensely investigated. The present book is the first "friendly" presentation of basic ideas in these exciting areas. The style is rigorous, but without entering into excessive technicalities. Equal attention is paid to the main practical results reported so far and the main theoretical developments. The book is written for the educated layman and is self-contained, including all the necessary facts from mathematics, computer science, biology and quantum mechanics.
Computing With Cells And Atoms
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Author : Cristian Calude
language : en
Publisher:
Release Date : 2000
Computing With Cells And Atoms written by Cristian Calude and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Molecular computers categories.
The Art Of High Performance Computing For Computational Science Vol 2
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Author : Masaaki Geshi
language : en
Publisher: Springer Nature
Release Date : 2019-10-01
The Art Of High Performance Computing For Computational Science Vol 2 written by Masaaki Geshi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-10-01 with Computers categories.
This book presents advanced and practical techniques for performance optimization for highly parallel processing. Featuring various parallelization techniques in material science, it is a valuable resource for anyone developing software codes for computational sciences such as physics, chemistry, biology, earth sciences, space science, weather, disaster prevention and manufacturing, as well as for anyone using those software codes. Chapter 1 outlines supercomputers and includes a brief explanation of the history of hardware. Chapter 2 presents procedures for performance evaluation, while Chapter 3 describes the set of tuned applications in materials science, nanoscience and nanotechnology, earth science and engineering on the K computer. Introducing the order-N method, based on density functional theory (DFT) calculation, Chapter 4 explains how to extend the applicability of DFT to large-scale systems by reducing the computational complexity. Chapter 5 discusses acceleration and parallelization in classical molecular dynamics simulations, and lastly, Chapter 6 explains techniques for large-scale quantum chemical calculations, including the order-N method. This is the second of the two volumes that grew out of a series of lectures in the K computer project in Japan. The first volume addresses more basic techniques, and this second volume focuses on advanced and concrete techniques.
Parallel Computing For Bioinformatics And Computational Biology
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Author : Albert Y. Zomaya
language : en
Publisher: John Wiley & Sons
Release Date : 2006-04-14
Parallel Computing For Bioinformatics And Computational Biology written by Albert Y. Zomaya and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-04-14 with Computers categories.
Discover how to streamline complex bioinformatics applications with parallel computing This publication enables readers to handle more complex bioinformatics applications and larger and richer data sets. As the editor clearly shows, using powerful parallel computing tools can lead to significant breakthroughs in deciphering genomes, understanding genetic disease, designing customized drug therapies, and understanding evolution. A broad range of bioinformatics applications is covered with demonstrations on how each one can be parallelized to improve performance and gain faster rates of computation. Current parallel computing techniques and technologies are examined, including distributed computing and grid computing. Readers are provided with a mixture of algorithms, experiments, and simulations that provide not only qualitative but also quantitative insights into the dynamic field of bioinformatics. Parallel Computing for Bioinformatics and Computational Biology is a contributed work that serves as a repository of case studies, collectively demonstrating how parallel computing streamlines difficult problems in bioinformatics and produces better results. Each of the chapters is authored by an established expert in the field and carefully edited to ensure a consistent approach and high standard throughout the publication. The work is organized into five parts: * Algorithms and models * Sequence analysis and microarrays * Phylogenetics * Protein folding * Platforms and enabling technologies Researchers, educators, and students in the field of bioinformatics will discover how high-performance computing can enable them to handle more complex data sets, gain deeper insights, and make new discoveries.
Computer Modelling Of Fluids Polymers And Solids
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Author : Richard Catlow
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computer Modelling Of Fluids Polymers And Solids written by Richard Catlow and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Computer Modelling techniques have developed very rapidly during the last decade, and interact with many contemporary scientific disciplines. One of the areas of greatest activity has concerned the modelling of condensed phases, including liquids solids and amorphous systems, where simulations have been used to provide insight into basic physical processes and in more recent years to make reliable predictions of the properties of the systems simulated. Indeed the predictive role of simulations is increasingly recognised both in academic and industrial contexts. Current active areas of application include topics as diverse as the viscosity of liquids, the conformation of proteins, the behaviour of hydrogen in metals, the diffusion of molecules in porous catalysts and the properties of micelles. This book, which is based on a NATO ASI held at the University of Bath, UK, from September 5th-17th, 1988, aims to give a general survey of this field, with detailed discussions both of methodologies and of applications. The earlier chapters of the book are devoted mainly to techniques and the later ones to recent simulation studies of fluids, polymers (including biological molecules) and solids. Special attention is paid to the role of interatomic potentials which are the fundamental physical input to simulations. In addition, developments in computer hardware are considered in depth, owing to the crucial role which such developments are playing in the expansion of the horizons of computer modelling studies.
Computer Simulation Of Materials At Atomic Level
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Author : P鈋ter·De鈇k
language : en
Publisher: John Wiley & Sons
Release Date : 2000
Computer Simulation Of Materials At Atomic Level written by P鈋ter·De鈇k and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Computers categories.
Peter Dea, Thomas Frauenheim, Mark R. Pederson (eds.) Computer Simulation of Materials at Atomic Level Combining theory and applications, this book deals with the modelling of materials properties and phenomena at atomic level. The first part provides an overview of the state-of-the-art of computational solid state physics. Emphasis is given on the understanding of approximations and their consequences regarding the accuracy of the results. This part of the book also deals as a guide to find the best method for a given purpose. The second part offers a potpourri of interesting topical applications, showing what can be achieved by computational modelling. Here the possibilities and the limits of the methods are stressed. A CD-ROM supplies various demo programmes of applications.
Workshop On Molecular Dynamics On Parallel Computers
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Author : Rdiger Esser
language : en
Publisher: World Scientific
Release Date : 2000
Workshop On Molecular Dynamics On Parallel Computers written by Rdiger Esser and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Science categories.
Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task. This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Linear Scaling Techniques In Computational Chemistry And Physics
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Author : Robert Zaleśny
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-03-21
Linear Scaling Techniques In Computational Chemistry And Physics written by Robert Zaleśny and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-03-21 with Science categories.
"Linear-Scaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linear-scaling techniques and their applications in chemistry and physics. In order to meet the needs of a broad community of chemists and physicists, the book focuses on recent advances that extended the scope of possible exploitations of the theory. The first chapter provides an overview of the present state of the linear-scaling methodologies and their applications, outlining hot topics in this field, and pointing to expected developments in the near future. This general introduction is then followed by several review chapters written by experts who substantially contributed to recent developments in this field. The purpose of this book is to review, in a systematic manner, recent developments in linear-scaling methods and their applications in computational chemistry and physics. Great emphasis is put on the theoretical aspects of linear-scaling methods. This book serves as a handbook for theoreticians, who are involved in the development of new efficient computational methods as well as for scientists, who are using the tools of computational chemistry and physics in their research.
High Performance Computing Hipc 2004
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Author : Luc Bougé
language : en
Publisher: Springer
Release Date : 2004-12-06
High Performance Computing Hipc 2004 written by Luc Bougé and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-12-06 with Computers categories.
Annotation. This book constitutes the refereed proceedings of the 11th International Conference on High-Performance Computing, HiPC 2004, held in Bangalore, India in December 2004. The 48 revised full papers presented were carefully reviewed and selected from 253 submissions. The papers are organized in topical sections on wireless network management, compilers and runtime systems, high performance scientific applications, peer-to-peer and storage systems, high performance processors and routers, grids and storage systems, energy-aware and high-performance networking, and distributed algorithms.
Foundations Of Crystallography With Computer Applications
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Author : Maureen M. Julian
language : en
Publisher: CRC Press
Release Date : 2024-11-29
Foundations Of Crystallography With Computer Applications written by Maureen M. Julian and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-29 with Science categories.
The third edition of Foundations of Crystallography with Computer Applications is a textbook for undergraduate and graduate students studying the solid state in chemistry, physics, materials science, geological sciences, and engineering. It takes a straightforward, logical approach to explaining how atoms are arranged in crystals and how crystal systems are related to each other. New to this edition is the inclusion of interactive Starter Programs in Python, which allow the students to focus on concepts and not treat crystallographic programs as "black boxes." Since many students have trouble visualizing three dimensional constructions, this book begins with detailed discussions in two dimensions leading up to the three-dimensional understanding. The first seven chapters introduce the fundamental principles, Chapter 8 suggests student projects, and the final seven chapters give detailed examples of the seven crystal systems. Key features: Uses Python, the leading open-source scientific language, with libraries including NumPy for matrix manipulations, Matplotlib for graphics, and Mplot3d for interactive 3-D modeling. Provides a gentle introduction to Python with Jupyter Notebooks, which combine interactive code and formatted documentation. Color codes both point group and space group diagrams using a new scheme devised by the author to emphasize the change of handedness of the symmetry operations and their consequences. Suggests student projects with data that can be found in the free Teaching Subset of the Cambridge Structural Database, the American Mineralogist Crystal Structure Database, and others. This book’s thorough but accessible style gives students a strong foundation in the subject. Over one thousand students have successfully used this book at Virginia Tech, and many more will continue to benefit from this new edition.