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Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics
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Book Synopsis Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics by : Xin-zheng Li
Download or read book Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics written by Xin-zheng Li and published by World Scientific. This book was released on 2018-01-18 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Electron-phonon Interaction And Lattice Dynamics In High Tc Superconductors by : Han Zhang
Download or read book Electron-phonon Interaction And Lattice Dynamics In High Tc Superconductors written by Han Zhang and published by World Scientific. This book was released on 2020-02-13 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the mechanism of the high-temperature superconductors has been a very important topic in condensed matter physics. Researchers have been trying to explain the role of electron-phonon interaction (EPI) in cuprates. Some important properties of the cuprates could not be explained by conventional BCS theory. This book contains the experimental and theoretical studies on the EPI. The experimental part covers the results of angle-resolved photoemission spectroscopy (ARPES), isotopic effect, elastic neutron scattering study of electron-phonon, lattice role and so on. The theoretical part covers the electron-phonon, polaron and bipolaron, effect of lattice, fine structure in the tunnelling spectra of electron-doped cuprates, identification of the bulk pairing symmetry in high-temperature superconductors.Students and researchers interested in high-temperature superconductors, especially the EPI in cuprates will find this title very useful.
Book Synopsis Applied Symbolic Dynamics And Chaos (Second Edition) by : Hao Bailin
Download or read book Applied Symbolic Dynamics And Chaos (Second Edition) written by Hao Bailin and published by World Scientific. This book was released on 2018-05-11 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: Symbolic dynamics is a coarse-grained description of dynamics. It has been a long-studied chapter of the mathematical theory of dynamical systems, but its abstract formulation has kept many practitioners of physical sciences and engineering from appreciating its simplicity, beauty, and power. At the same time, symbolic dynamics provides almost the only rigorous way to understand global systematics of periodic and, especially, chaotic motion in dynamical systems. In a sense, everyone who enters the field of chaotic dynamics should begin with the study of symbolic dynamics. However, this has not been an easy task for non-mathematicians. On one hand, the method of symbolic dynamics has been developed to such an extent that it may well become a practical tool in studying chaotic dynamics, both on computers and in laboratories. On the other hand, most of the existing literature on symbolic dynamics is mathematics-oriented. This book is an attempt at partially filling up this apparent gap by emphasizing the applied aspects of symbolic dynamics without mathematical rigor. Contents: Preface to the Second Edition Preface to the First Edition Introduction Symbolic Dynamics of Unimodal Maps Maps with Multiple Critical Points Symbolic Dynamics of Circle Maps Symbolic Dynamics of Two-Dimensional Maps Application to Ordinary Differential Equations Counting the Number of Periodic Orbits Symbolic Dynamics and Grammatical Complexity Symbolic Dynamics and Knot Theory Appendix References Index Readership: Researchers and students interested in chaotic dynamics. Keywords: Symbolic Dynamics;ChaosReview: Key Features: No previous knowledge of dynamical systems theory is required in order to read this book The revisions concern mainly the application to ordinary differential equations via constructing two-dimensional symbolic dynamics of the corresponding Poincare maps
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 Advances In Theoretical And Experimental Research Of High Temperature Cuprate Superconductivity by : Rushan Han
Download or read book Advances In Theoretical And Experimental Research Of High Temperature Cuprate Superconductivity written by Rushan Han and published by World Scientific. This book was released on 2020-05-22 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is indexed in Chemical Abstracts ServiceResearchers working at the frontier of high-Tc Superconductors have reviewed the development in this area in the past 20 years. Both experimental and theoretical aspects have been covered. New directions and possible theoretical models were suggested. The contributors of this book are from China Center of Advanced Science and Technology (CCAST); Institute of Physics Chinese Academy of Sciences (CAS); National Lab for Superconductivity, Institute of Physics, CAS; School of Physics, Peking University and Center of Advanced Study Tsinghua University.This volume will be a useful guide to those who are working in the field.
Book Synopsis Physics On Ultracold Quantum Gases by : Yongjian Han
Download or read book Physics On Ultracold Quantum Gases written by Yongjian Han and published by World Scientific. This book was released on 2018-11-16 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book derives from the content of graduate courses on cold atomic gases, taught at the Renmin University of China and at the University of Science and Technology of China. It provides a brief review on the history and current research frontiers in the field of ultracold atomic gases, as well as basic theoretical description of few- and many-body physics in the system. Starting from the basics such as atomic structure, atom-light interaction, laser cooling and trapping, the book then moves on to focus on the treatment of ultracold Fermi gases, before turning to topics in quantum simulation using cold atoms in optical lattices.The book would be ideal not only for professionals and researchers, but also for familiarizing junior graduate students with the subject and aiding them in their preparation for future study and research in the field.
Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quasi-one-dimensional Organic Superconductors by : Wei Zhang
Download or read book Quasi-one-dimensional Organic Superconductors written by Wei Zhang and published by World Scientific. This book was released on 2018-06-22 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Superconductivity Centennial by : Rushan Han
Download or read book Superconductivity Centennial written by Rushan Han and published by World Scientific. This book was released on 2018-10-09 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Endless Quests: Theory, Experiments And Applications Of Frontiers Of Superconductivity by : Jiangdi Fan
Download or read book Endless Quests: Theory, Experiments And Applications Of Frontiers Of Superconductivity written by Jiangdi Fan and published by World Scientific. This book was released on 2019-01-15 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is devoted to advancing and developing the frontiers of superconductivity; in particular, the theory of the Diagrammatic Iteration Approach (DIA), described in Chapter 1, is unique in the community of superconductivity.The application of DIA to electron correlation effects has allowed the tough issue of strongly-coupled electron systems to be solved, which is important for high-temperature superconductivity (HTS). DIA, when applied to a layered two-dimensional system, gives rise to marvelous outcomes that can explain all the anomalies in the normal state of HTS, and leads to a transition temperature that is dependent on quantities including the dielectric constant, electron band mass and spacing between layers. This then serves as a quantifiable guide on how to make ideal superconductors. Moreover, in such a scenario, the mechanisms of low- and high-temperature superconductivity can be unified on the basis of repulsive Coulomb interactions between electrons.The book contains rich first-hand information on experiments at the frontiers of superconductivity, as well as on relevant applications of such cutting-edge developments. For instance, Jiasu Wang, co-author of the chapter discussing the HTS Maglev train, is the person who completed the world's first HTS Maglev train. Thus, the draw of this book lies not only in its ability to marry theory, experiment and application, but also in its inclusion of research from prestigious experts of the field.
Book Synopsis Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1 by : Mauro Ferrario
Download or read book Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1 written by Mauro Ferrario and published by Springer. This book was released on 2007-03-09 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Computer Simulation Studies in Condensed Matter Physics by : David P. Landau
Download or read book Computer Simulation Studies in Condensed Matter Physics written by David P. Landau and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Phase Change Materials-Based Photonic Computing by : Harish Bhaskaran
Download or read book Phase Change Materials-Based Photonic Computing written by Harish Bhaskaran and published by Elsevier. This book was released on 2024-01-21 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase Change Materials-Based Photonic Computing provides a clear introduction to the field, introducing concepts of photonics, computing, phase change materials and future outlooks. Phase change materials are well known and studied in many contexts, and photonics is a longstanding field, with photonic neuromorphic computing recently gathering interest. However, the two fields are disparate and few people understand the key concepts needed to integrate the two. This book will be the first to do so in this promising field. It is suitable for researchers and practitioners in academia and industry working in the disciplines of materials science and engineering, electrical engineering and computing. - Introduces the advanced fundamental concepts of photonics computing and phase change materials - Reviews the remaining challenges to translation, opportunities and future outlooks - Addresses definitions, historical context, foundational concepts and the latest advances of phase change materials-based photonics computing
Book Synopsis Computer Simulation of Liquids by : M. P. Allen
Download or read book Computer Simulation of Liquids written by M. P. Allen and published by Oxford University Press. This book was released on 1989 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.
Book Synopsis Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 2 by : Mauro Ferrario
Download or read book Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 2 written by Mauro Ferrario and published by Springer. This book was released on 2007-04-16 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Electronic Structure Calculations for Solids and Molecules by : Jorge Kohanoff
Download or read book Electronic Structure Calculations for Solids and Molecules written by Jorge Kohanoff and published by Cambridge University Press. This book was released on 2006-06-29 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Book Synopsis Biomolecular and Bioanalytical Techniques by : Vasudevan Ramesh
Download or read book Biomolecular and Bioanalytical Techniques written by Vasudevan Ramesh and published by John Wiley & Sons. This book was released on 2019-06-10 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
