Progress In Computational Physics Of Matter Methods Software And Applications
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Progress In Computational Physics Of Matter Methods Software And Applications
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Author : Franca Manghi
language : en
Publisher: World Scientific
Release Date : 1995-12-21
Progress In Computational Physics Of Matter Methods Software And Applications written by Franca Manghi and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-12-21 with categories.
The aim of the book is to describe some of the recent advances, through computer simulation in a broad sense, in the understanding of the complex processes occurring in solids and liquids.The rapid growth of computer power, including the new parallel processors, has stimulated a ferment of new theoretical and computational ideas, which have been developed in particular by the authors in a pluriennal research project supported by Consiglio Nazionale delle Ricerche (CNR) for the development of novel software for large scale computations.The book will cover advances in ab initio (Car-Parrinello) molecular dynamics, quantum monte carlo simulations, self-consistent density functional computation of electronic states, classical molecular dynamics simulation of thermodynamic processes, chemical reactions and transport properties.Besides the description of the results of these techniques in leading edge applications, the book will address specific aspects of the algorithms and software which have been developed by the authors in order to implement in an efficient way the new theoretical advances in these computationally intensive problems.These aspects which are generally not discussed in any detail in the literature, can be of great help for newcomers in the field.
Reviews In Computational Chemistry Volume 17
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Author : Kenny B. Lipkowitz
language : en
Publisher: John Wiley & Sons
Release Date : 2003-05-08
Reviews In Computational Chemistry Volume 17 written by Kenny B. Lipkowitz 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 2003-05-08 with Science categories.
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
Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics
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Author : Bruce J Berne
language : en
Publisher: World Scientific
Release Date : 1998-06-17
Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-06-17 with Science categories.
The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Spectroscopic Techniques In Biophysics
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Author : Giorgio Mario Giacometti
language : en
Publisher: IOS Press
Release Date : 2001
Spectroscopic Techniques In Biophysics written by Giorgio Mario Giacometti and has been published by IOS Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Science categories.
This volume brings together the lectures given during the 1999 session of the School of Pure and Applied Biophysics. It concerns a number of spectroscopic tools, both experimental and computational, frequently encountered in biophysical research. The chapters of the book have been compiled from the lecture notes distributed among the participants at the school. The authors are specialists in their respective fields.
Reviews In Computational Chemistry Volume 15
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Author : Kenny B. Lipkowitz
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-22
Reviews In Computational Chemistry Volume 15 written by Kenny B. Lipkowitz 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 2009-09-22 with Science categories.
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society
Explorations In Computational Physics
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Author : Devang Patil
language : en
Publisher: Educohack Press
Release Date : 2025-02-20
Explorations In Computational Physics written by Devang Patil and has been published by Educohack Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-20 with Science categories.
"Explorations in Computational Physics" delves into the intricate world of computational physics, offering a comprehensive guide from fundamental theories to cutting-edge applications. This book serves as an indispensable companion for both novice learners and seasoned researchers. We cover a diverse array of topics, meticulously unfolding layers of computational techniques and their applications in various branches of physics. From classical mechanics simulations elucidating celestial mechanics to quantum mechanics computations unraveling atomic and subatomic realms, the book navigates through the vast landscape of computational methodologies with clarity and precision. Furthermore, we delve into electromagnetic field simulations, statistical mechanics, and thermodynamics, equipping readers with tools to model complex physical phenomena with accuracy and efficiency. High-performance computing techniques, data analysis, and visualization methodologies are elucidated, empowering readers to harness modern computational resources in their research. With lucid explanations, illustrative examples, and insightful discussions on emerging technologies like quantum computing and artificial intelligence, "Explorations in Computational Physics" fosters a deeper understanding of computational methodologies and their transformative impact on physics research.
Energy Transfer Dynamics In Biomaterial Systems
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Author : Irene Burghardt
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-09-22
Energy Transfer Dynamics In Biomaterial Systems written by Irene Burghardt 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 2009-09-22 with Science categories.
The role of quantum coherence in promoting the e ciency of the initial stages of photosynthesis is an open and intriguing question. Lee, Cheng, and Fleming, Science 316, 1462 (2007) The understanding and design of functional biomaterials is one of today’s grand challenge areas that has sparked an intense exchange between biology, materials sciences, electronics, and various other disciplines. Many new - velopments are underway in organic photovoltaics, molecular electronics, and biomimetic research involving, e. g. , arti cal light-harvesting systems inspired by photosynthesis, along with a host of other concepts and device applications. In fact, materials scientists may well be advised to take advantage of Nature’s 3. 8 billion year head-start in designing new materials for light-harvesting and electro-optical applications. Since many of these developments reach into the molecular domain, the - derstanding of nano-structured functional materials equally necessitates f- damental aspects of molecular physics, chemistry, and biology. The elementary energy and charge transfer processes bear much similarity to the molecular phenomena that have been revealed in unprecedented detail by ultrafast op- cal spectroscopies. Indeed, these spectroscopies, which were initially developed and applied for the study of small molecular species, have already evolved into an invaluable tool to monitor ultrafast dynamics in complex biological and materials systems. The molecular-level phenomena in question are often of intrinsically quantum mechanical character, and involve tunneling, non-Born- Oppenheimer e ects, and quantum-mechanical phase coherence.
An Introduction To Computational Physics
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Author : Tao Pang
language : en
Publisher: Cambridge University Press
Release Date : 2006-01-19
An Introduction To Computational Physics written by Tao Pang and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-01-19 with Science categories.
Thoroughly revised for its second edition, this advanced textbook provides an introduction to the basic methods of computational physics, and an overview of progress in several areas of scientific computing by relying on free software available from CERN. The book begins by dealing with basic computational tools and routines, covering approximating functions, differential equations, spectral analysis, and matrix operations. Important concepts are illustrated by relevant examples at each stage. The author also discusses more advanced topics, such as molecular dynamics, modeling continuous systems, Monte Carlo methods, genetic algorithm and programming, and numerical renormalization. It includes many more exercises. This can be used as a textbook for either undergraduate or first-year graduate courses on computational physics or scientific computation. It will also be a useful reference for anyone involved in computational research.
Monte Carlo And Molecular Dynamics Of Condensed Matter Systems
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Author : Kurt Binder
language : en
Publisher: Compositori
Release Date : 1996
Monte Carlo And Molecular Dynamics Of Condensed Matter Systems written by Kurt Binder and has been published by Compositori this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Science categories.
Whitaker S Books In Print
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Author :
language : en
Publisher:
Release Date : 1998
Whitaker S Books In Print written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Bibliography, National categories.