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Progress In Computational Physics Of Matter Methods Software And Applications
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Book Synopsis Progress In Computational Physics Of Matter: Methods, Software And Applications by : Franca Manghi
Download or read book Progress In Computational Physics Of Matter: Methods, Software And Applications written by Franca Manghi and published by World Scientific. This book was released on 1995-12-21 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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
Book Synopsis Spectroscopic Techniques in Biophysics by : Giorgio Mario Giacometti
Download or read book Spectroscopic Techniques in Biophysics written by Giorgio Mario Giacometti and published by IOS Press. This book was released on 2001 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Reviews in Computational Chemistry, Volume 15 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 15 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Energy Transfer Dynamics in Biomaterial Systems by : Irene Burghardt
Download or read book Energy Transfer Dynamics in Biomaterial Systems written by Irene Burghardt and published by Springer Science & Business Media. This book was released on 2009-09-22 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Monte Carlo and Molecular Dynamics of Condensed Matter Systems by : Kurt Binder
Download or read book Monte Carlo and Molecular Dynamics of Condensed Matter Systems written by Kurt Binder and published by Compositori. This book was released on 1996 with total page 1010 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Frontiers and Challenges in Warm Dense Matter by : Frank Graziani
Download or read book Frontiers and Challenges in Warm Dense Matter written by Frank Graziani and published by Springer Science & Business. This book was released on 2014-04-28 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Warm Dense Matter (WDM) occupies a loosely defined region of phase space intermediate between solid, liquid, gas, and plasma, and typically shares characteristics of two or more of these phases. WDM is generally associated with the combination of strongly coupled ions and moderately degenerate electrons, and careful attention to quantum physics and electronic structure is essential. The lack of a small perturbation parameter greatly limits approximate attempts at its accurate description. Since WDM resides at the intersection of solid state and high energy density physics, many high energy density physics (HEDP) experiments pass through this difficult region of phase space. Thus, understanding and modeling WDM is key to the success of experiments on diverse facilities. These include the National Ignition Campaign centered on the National Ignition Facility (NIF), pulsed-power driven experiments on the Z machine, ion-beam-driven WDM experiments on the NDCX-II, and fundamental WDM research at the Linear Coherent Light Source (LCLS). Warm Dense Matter is also ubiquitous in planetary science and astrophysics, particularly with respect to unresolved questions concerning the structure and age of the gas giants, the nature of exosolar planets, and the cosmochronology of white dwarf stars. In this book we explore established and promising approaches to the modeling of WDM, foundational issues concerning the correct theoretical description of WDM, and the challenging practical issues of numerically modeling strongly coupled systems with many degrees of freedom.
Book Synopsis Subject Guide to Books in Print by :
Download or read book Subject Guide to Books in Print written by and published by . This book was released on 1997 with total page 3310 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Approaches in Condensed-Matter Physics by : Seiji Miyashita
Download or read book Computational Approaches in Condensed-Matter Physics written by Seiji Miyashita and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interacting many-body systems are the main subjects of research in theoretical condensed matter physics, and they are the source of both the interest and the difficulty in this field. In order to understand the macroscopic properties of matter in terms of macroscopic knowledge, many analytic and approximate methods have been introduced. The contributions to this proceedings volume focus on the most recent developments of computational approaches in condensed matter physics. Monte Carlo methods and molecular dynamics simulations applied to strongly correlated classical and quantum systems such as electron systems, quantum spin systems, spin glassss, coupled map systems, polymers and other random and comlex systems are reviewed. Comprising easy to follow introductions to each field covered and also more specialized contributions,this proceedings volume explains why computational approaches are necessary and how different fields are related to each other.
Download or read book Whitaker's Books in Print written by and published by . This book was released on 1998 with total page 3116 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Abstracts Service Source Index by : American Chemical Society. Chemical Abstracts Service
Download or read book Chemical Abstracts Service Source Index written by American Chemical Society. Chemical Abstracts Service and published by . This book was released on 1907 with total page 2064 pages. Available in PDF, EPUB and Kindle. Book excerpt: A key source to journal and conference abbreviations in the sciences. Although it focuses on chemistry, other scientific and engineering disciplines are also well represented. In addition to the abbreviation and full title, each entry also contains publishing info, title changes, language and frequency of publication, and libraries owning that title. Over 130,000 entries representing more than 70,000 publications dating back to 1907 are included.
Author :National Academies of Sciences, Engineering, and Medicine Publisher :National Academies Press ISBN 13 :030947969X Total Pages :273 pages Book Rating :4.3/5 (94 download)
Book Synopsis Quantum Computing by : National Academies of Sciences, Engineering, and Medicine
Download or read book Quantum Computing written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2019-04-27 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum mechanics, the subfield of physics that describes the behavior of very small (quantum) particles, provides the basis for a new paradigm of computing. First proposed in the 1980s as a way to improve computational modeling of quantum systems, the field of quantum computing has recently garnered significant attention due to progress in building small-scale devices. However, significant technical advances will be required before a large-scale, practical quantum computer can be achieved. Quantum Computing: Progress and Prospects provides an introduction to the field, including the unique characteristics and constraints of the technology, and assesses the feasibility and implications of creating a functional quantum computer capable of addressing real-world problems. This report considers hardware and software requirements, quantum algorithms, drivers of advances in quantum computing and quantum devices, benchmarks associated with relevant use cases, the time and resources required, and how to assess the probability of success.
Book Synopsis Recent Advances in Computational Methods and Clinical Applications for Spine Imaging by : Jianhua Yao
Download or read book Recent Advances in Computational Methods and Clinical Applications for Spine Imaging written by Jianhua Yao and published by Springer. This book was released on 2015-02-09 with total page 259 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the full papers presented at the MICCAI 2014 workshop on Computational Methods and Clinical Applications for Spine Imaging. The workshop brought together scientists and clinicians in the field of computational spine imaging. The chapters included in this book present and discuss the new advances and challenges in these fields, using several methods and techniques in order to address more efficiently different and timely applications involving signal and image acquisition, image processing and analysis, image segmentation, image registration and fusion, computer simulation, image based modeling, simulation and surgical planning, image guided robot assisted surgical and image based diagnosis. The book also includes papers and reports from the first challenge on vertebra segmentation held at the workshop.
Author :Martin Oliver Steinhauser Publisher :Springer Science & Business Media ISBN 13 :3540751165 Total Pages :863 pages Book Rating :4.5/5 (47 download)
Book Synopsis Computational Multiscale Modeling of Fluids and Solids by : Martin Oliver Steinhauser
Download or read book Computational Multiscale Modeling of Fluids and Solids written by Martin Oliver Steinhauser and published by Springer Science & Business Media. This book was released on 2008 with total page 863 pages. Available in PDF, EPUB and Kindle. Book excerpt: The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the physical basic principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale. The chapters follow this classification. The book will explain in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are occasionally included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.
Author :United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development Publisher : ISBN 13 : Total Pages :2038 pages Book Rating :4.0/5 (18 download)
Book Synopsis Energy and Water Development Appropriations for 1994: Department of Energy FY 1994 budget justifications by : United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development
Download or read book Energy and Water Development Appropriations for 1994: Department of Energy FY 1994 budget justifications written by United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development and published by . This book was released on 1993 with total page 2038 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development Publisher : ISBN 13 : Total Pages :2048 pages Book Rating :4.F/5 ( download)
Book Synopsis Energy and Water Development Appropriations for 1994 by : United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development
Download or read book Energy and Water Development Appropriations for 1994 written by United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development and published by . This book was released on 1993 with total page 2048 pages. Available in PDF, EPUB and Kindle. Book excerpt:
