Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics
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Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics
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Author : Xin-zheng Li
language : en
Publisher: World Scientific
Release Date : 2018-01-18
Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics written by Xin-zheng Li and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-18 with Science categories.
This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and free-energy calculation techniques including umbrella sampling, meta-dynamics, integrated tempering sampling, etc. As a further extension beyond the standard Born-Oppenheimer molecular dynamics, some simulation techniques for the description of quantum nuclear effects are also covered, based on Feynman's path-integral representation of quantum mechanics. The book aims to help beginning graduate students to set up a framework of the concepts they should know before tackling the physical/chemical problems they will face in their research.
Computer Simulations Of Molecules And Condensed Matters
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Author : En-Ge Wang
language : en
Publisher:
Release Date : 2017
Computer Simulations Of Molecules And Condensed Matters written by En-Ge Wang and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017 with Condensed matter categories.
Computer Simulations In Condensed Matter From Materials To Chemical Biology Volume 1
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Author : Mauro Ferrario
language : en
Publisher: Springer
Release Date : 2007-03-09
Computer Simulations In Condensed Matter From Materials To Chemical Biology Volume 1 written by Mauro Ferrario and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-03-09 with Science categories.
This comprehensive collection of lectures by leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. Volume 2 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems.
Computer Simulations In Condensed Matter From Materials To Chemical Biology Volume 2
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Author : Mauro Ferrario
language : en
Publisher: Springer
Release Date : 2007-04-16
Computer Simulations In Condensed Matter From Materials To Chemical Biology Volume 2 written by Mauro Ferrario and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-04-16 with Science categories.
This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 2 offers surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, including supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.
Computer Simulation Studies In Condensed Matter Physics
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Author : David P. Landau
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computer Simulation Studies In Condensed Matter Physics written by David P. Landau 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 simulation studies in condensed matter physics form a rapidly developing field making sigificant contributions to important physical problems. The papers in this volume present new physical results and report new simulation techniques and new ways of interpreting simulational data, which cover simulation of both classical and quantum systems. Topics treated include - Multigrid and nonlocal updating methods in Monte Carlo simulations - Simulations of magnetic excitations and phase transitions - Simulations of aggregate formation - Molecular dynamics and Monte Carlo studies of polymers, polymer mixtures, and fluid flow - Quantum path integral and molecular dynamics studies of clusters and adsorbed layers on surfaces - New methods for simulating interacting boson and fermion systems - Simulational studies of electronic structure.
Computer Simulation Studies In Condensed Matter Physics Xiii
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Author : D.P. Landau
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computer Simulation Studies In Condensed Matter Physics Xiii written by D.P. Landau 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.
Almost fifteen years ago, because of the phenomenal growth in the power of computer simulations, The University of Georgia formed the first institu tional unit devoted to the use of simulations in research and teaching: The Center for Simulational Physics. As the international simulations community expanded further, we sensed a need for a meeting place for both experi enced simulators and neophytes to discuss new techniques and recent results in an environment which promoted extended discussion. As a consequence, the Center for Simulational Physics established an annual workshop on Re cent Developments in Computer Simulation Studies in Condensed Matter Physics. This year's workshop was the thirteenth in this series, and the con tinued interest shown by the scientific community demonstrates quite clearly the useful purpose that these meetings have served. The latest workshop was held at The University of Georgia, February 21-25, 2000, and these proceed ings provide a "status report" on a number of important topics. This volume is published with the goal of timely dissemination of the material to a wider audience. We wish to offer a special thanks to the IBM Corporation for its generous support of this year's workshop. We also acknowledge the Donors of the Petroleum Research Fund, administered by the American Chemical Society, and the National Science Foundation for partial support. This volume contains both invited papers and contributed presentations on problems in both classical and quantum condensed matter physics.
Ab Initio Molecular Dynamics
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Author : Dominik Marx
language : en
Publisher: Cambridge University Press
Release Date : 2009-04-30
Ab Initio Molecular Dynamics written by Dominik Marx 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 2009-04-30 with Science categories.
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Superconductivity Centennial
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Author : Rushan Han
language : en
Publisher: World Scientific
Release Date : 2018-10-09
Superconductivity Centennial written by Rushan Han and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-09 with Science categories.
This book covers the important contributions of the Chinese during the development of high-temperature superconductors (HTS). The study of Y-based HTS, which was the first to be reported internationally at a liquid nitrogen temperature above 90 K, has retained the world record for superconducting transition temperatures. The book covers the study of superconducting energy gap, microscopic electron non-uniformity, ARPES research, 'kinks' research, eHigh-Tᶜ. In order to provide a comprehensive introduction to the physical properties of condensed matter, this book also includes studies on the thermodynamic properties of high-temperature superconductors, low-temperature heat transport, and Raman spectroscopy. In addition, this book includes important topics in theoretical studies, including the study of the magnetic and superconductivity of iron-based materials, the non-diagonal long procedure in condensed quantum phases, and the creation of oxygen sites in the CuO₂ plane. Rotational fluctuations lead to the study of superconducting states. This book is suitable for researchers and graduate students in condensed matter physics, materials science, optics and other fields.
Biomolecular And Bioanalytical Techniques
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Author : Vasudevan Ramesh
language : en
Publisher: John Wiley & Sons
Release Date : 2019-06-10
Biomolecular And Bioanalytical Techniques written by Vasudevan Ramesh 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 2019-06-10 with Science categories.
An essential guide to biomolecular and bioanalytical techniques and their applications Biomolecular and Bioanalytical Techniques offers an introduction to, and a basic understanding of, a wide range of biophysical techniques. The text takes an interdisciplinary approach with contributions from a panel of distinguished experts. With a focus on research, the text comprehensively covers a broad selection of topics drawn from contemporary research in the fields of chemistry and biology. Each of the internationally reputed authors has contributed a single chapter on a specific technique. The chapters cover the specific technique’s background, theory, principles, technique, methodology, protocol and applications. The text explores the use of a variety of analytical tools to characterise biological samples. The contributors explain how to identify and quantify biochemically important molecules, including small molecules as well as biological macromolecules such as enzymes, antibodies, proteins, peptides and nucleic acids. This book is filled with essential knowledge and explores the skills needed to carry out the research and development roles in academic and industrial laboratories. A technique-focused book that bridges the gap between an introductory text and a book on advanced research methods Provides the necessary background and skills needed to advance the research methods Features a structured approach within each chapter Demonstrates an interdisciplinary approach that serves to develop independent thinking Written for students in chemistry, biological, medical, pharmaceutical, forensic and biophysical sciences, Biomolecular and Bioanalytical Techniques is an in-depth review of the most current biomolecular and bioanalytical techniques in the field.
Quasi One Dimensional Organic Superconductors
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Author : Wei Zhang
language : en
Publisher: World Scientific
Release Date : 2018-06-22
Quasi One Dimensional Organic Superconductors written by Wei Zhang and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-22 with Science categories.
The book includes a thorough description of a wide range of physical properties of organic superconductors of reduced dimensionality. The authors start with an overview of the field followed by a background discussion and selected experimental topics. A critical discussion of theoretical proposals is presented under the constraints of experimental observations and exciting possibilities for the symmetry of the order parameter are presented, including the cases of inhomogeneous superconducting states and triplet superconductivity. The possible origins of Cooper pairing are explored and tests to detect experimentally the pairing symmetry are described in detail. The book ends with a discussion of important open questions, where the search for their answers will keep the field alive for the next decade.