Quantum Monte Carlo Programming
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Quantum Monte Carlo Programming
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Author : Wolfgang Schattke
language : en
Publisher: John Wiley & Sons
Release Date : 2013-08-30
Quantum Monte Carlo Programming written by Wolfgang Schattke 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 2013-08-30 with Science categories.
Quantum Monte Carlo is a large class of computer algorithms that simulate quantum systems to solve many body systems in order to investigate the electronic structure of many-body systems. This book presents a numeric approach to determine the electronic structure of atoms, molecules and solids. Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum-Monte-Carlo (VQMC) scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. Several intermediate steps cover the Hydrogen molecule, how to deal with a two electron systems, going over to three electrons, and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal. The exmples in the field of VQMC are followed by the subject of diffusion Monte-Calro (DMC) which covers a common example, the harmonic ascillator. The book is unique as it provides both theory and numerical programs. It includes rather practical advices to do what is usually described in a theoretical textbook, and presents in more detail the physical understanding of what the manual of a code usually promises as result. Detailed derivations can be found at the appendix, and the references are chosen with respect to their use for specifying details or getting an deeper understanding . The authors address an introductory readership in condensed matter physics, computational phyiscs, chemistry and materials science. As the text is intended to open the reader's view towards various possibilities of choices of computing schemes connected with the method of QMC, it might also become a welcome literature for researchers who would like to know more about QMC methods. The book is accompanied with a collection of programs, routines, and data. To download the codes, please follow http://www.wiley-vch.de/books/sample/3527408517_codes.tar.gz
Quantum Monte Carlo Methods
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Author : James Gubernatis
language : en
Publisher: Cambridge University Press
Release Date : 2016-06-02
Quantum Monte Carlo Methods written by James Gubernatis 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 2016-06-02 with Computers categories.
The first textbook to provide a pedagogical examination of the major algorithms used in quantum Monte Carlo simulations.
Quantum Monte Carlo Approaches For Correlated Systems
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Author : Federico Becca
language : en
Publisher: Cambridge University Press
Release Date : 2017-11-30
Quantum Monte Carlo Approaches For Correlated Systems written by Federico Becca 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 2017-11-30 with Mathematics categories.
A comprehensive introduction to state-of-the-art quantum Monte Carlo techniques for applications in strongly-interacting systems. Including variational wave functions, stochastic samplings, the variational technique, optimisation techniques, real-time dynamics and projection methods and recent developments on the continuum space. An extensive resource for students and researchers.
Markov Chain Monte Carlo Simulations And Their Statistical Analysis With Web Based Fortran Code
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Author : Bernd Albert Berg
language : en
Publisher: World Scientific Publishing Company
Release Date : 2004-10-01
Markov Chain Monte Carlo Simulations And Their Statistical Analysis With Web Based Fortran Code written by Bernd Albert Berg and has been published by World Scientific Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-10-01 with Science categories.
This book teaches modern Markov chain Monte Carlo (MC) simulation techniques step by step. The material should be accessible to advanced undergraduate students and is suitable for a course. It ranges from elementary statistics concepts (the theory behind MC simulations), through conventional Metropolis and heat bath algorithms, autocorrelations and the analysis of the performance of MC algorithms, to advanced topics including the multicanonical approach, cluster algorithms and parallel computing. Therefore, it is also of interest to researchers in the field. The book relates the theory directly to Web-based computer code. This allows readers to get quickly started with their own simulations and to verify many numerical examples easily. The present code is in Fortran 77, for which compilers are freely available. The principles taught are important for users of other programming languages, like C or C++.
Computational Physics
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Author : Philipp Scherer
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-07-17
Computational Physics written by Philipp Scherer 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 2013-07-17 with Science categories.
This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. The first part of the book discusses the basic numerical methods. The second part concentrates on simulation of classical and quantum systems. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method but also multi-step methods and the class of Verlet methods, which is introduced by studying the motion in Liouville space. A general chapter on the numerical treatment of differential equations provides methods of finite differences, finite volumes, finite elements and boundary elements together with spectral methods and weighted residual based methods. The book gives simple but non trivial examples from a broad range of physical topics trying to give the reader insight into not only the numerical treatment but also simulated problems. Different methods are compared with regard to their stability and efficiency. The exercises in the book are realised as computer experiments.
Monte Carlo Methods In Ab Initio Quantum Chemistry
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Author : B. L. Hammond
language : en
Publisher: World Scientific
Release Date : 1994
Monte Carlo Methods In Ab Initio Quantum Chemistry written by B. L. Hammond and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Science categories.
This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential.Some distinguishing features of this book are:
Quantum Monte Carlo Methods In Physics And Chemistry
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Author : M.P. Nightingale
language : en
Publisher: Springer Science & Business Media
Release Date : 1998-12-31
Quantum Monte Carlo Methods In Physics And Chemistry written by M.P. Nightingale 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 1998-12-31 with Mathematics categories.
This book contains lectures on the basic theory and applications of quantum Monte Carlo methods, with contributions written by authorities in the field. Although tutorial in nature, it includes current developments. Both continuum systems and lattice models are covered. The applications include atomic, molecular, and solid state physics, statistical and low-temperature physics, and nuclear structure. Suitable for Ph.D. students and beyond.
Monte Carlo Methods In Finance
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Author : Peter Jäckel
language : de
Publisher: John Wiley & Sons
Release Date : 2002-04-03
Monte Carlo Methods In Finance written by Peter Jäckel 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 2002-04-03 with Business & Economics categories.
Dieses Buch ist ein handlicher und praktischer Leitfaden zur Monte Carlo Simulation (MCS). Er gibt eine Einführung in Standardmethoden und fortgeschrittene Verfahren, um die zunehmende Komplexität derivativer Portfolios besser zu erfassen. Das hier behandelte Spektrum von MCS-Anwendungen reicht von der Preisbestimmung komplexerer Derivate, z.B. von amerikanischen und asiatischen Optionen, bis hin zur Messung des Value at Risk und zur Modellierung komplexer Marktdynamik. Anhand einer Vielzahl praktischer Beispiele wird erläutert, wie man Monte Carlo Methoden einsetzt. Dabei gehen die Autoren zunächst auf die Grundlagen und danach auf fortgeschrittene Techniken ein. Darüber hinaus geben sie nützliche Tipps und Hinweise für das Entwickeln und Arbeiten mit MCS-Methoden. Die Autoren sind Experten auf dem Gebiet der Monte Carlo Simulation und verfügen über langjährige Erfahrung im Umgang mit MCS-Methoden. Die Begleit-CD enthält Excel Muster Spreadsheets sowie VBA und C++ Code Snippets, die der Leser installieren und so mit den im Buch beschriebenen Beispiele frei experimentieren kann. "Monte Carlo Methods in Finance" - ein unverzichtbares Nachschlagewerk für quantitative Analysten, die bei der Bewertung von Optionspreisen und Riskmanagement auf Modelle zurückgreifen müssen.
Exascale Scientific Applications
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Author : Tjerk P. Straatsma
language : en
Publisher: CRC Press
Release Date : 2017-11-13
Exascale Scientific Applications written by Tjerk P. Straatsma and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-11-13 with Computers categories.
From the Foreword: "The authors of the chapters in this book are the pioneers who will explore the exascale frontier. The path forward will not be easy... These authors, along with their colleagues who will produce these powerful computer systems will, with dedication and determination, overcome the scalability problem, discover the new algorithms needed to achieve exascale performance for the broad range of applications that they represent, and create the new tools needed to support the development of scalable and portable science and engineering applications. Although the focus is on exascale computers, the benefits will permeate all of science and engineering because the technologies developed for the exascale computers of tomorrow will also power the petascale servers and terascale workstations of tomorrow. These affordable computing capabilities will empower scientists and engineers everywhere." — Thom H. Dunning, Jr., Pacific Northwest National Laboratory and University of Washington, Seattle, Washington, USA "This comprehensive summary of applications targeting Exascale at the three DoE labs is a must read." — Rio Yokota, Tokyo Institute of Technology, Tokyo, Japan "Numerical simulation is now a need in many fields of science, technology, and industry. The complexity of the simulated systems coupled with the massive use of data makes HPC essential to move towards predictive simulations. Advances in computer architecture have so far permitted scientific advances, but at the cost of continually adapting algorithms and applications. The next technological breakthroughs force us to rethink the applications by taking energy consumption into account. These profound modifications require not only anticipation and sharing but also a paradigm shift in application design to ensure the sustainability of developments by guaranteeing a certain independence of the applications to the profound modifications of the architectures: it is the passage from optimal performance to the portability of performance. It is the challenge of this book to demonstrate by example the approach that one can adopt for the development of applications offering performance portability in spite of the profound changes of the computing architectures." — Christophe Calvin, CEA, Fundamental Research Division, Saclay, France "Three editors, one from each of the High Performance Computer Centers at Lawrence Berkeley, Argonne, and Oak Ridge National Laboratories, have compiled a very useful set of chapters aimed at describing software developments for the next generation exa-scale computers. Such a book is needed for scientists and engineers to see where the field is going and how they will be able to exploit such architectures for their own work. The book will also benefit students as it provides insights into how to develop software for such computer architectures. Overall, this book fills an important need in showing how to design and implement algorithms for exa-scale architectures which are heterogeneous and have unique memory systems. The book discusses issues with developing user codes for these architectures and how to address these issues including actual coding examples.’ — Dr. David A. Dixon, Robert Ramsay Chair, The University of Alabama, Tuscaloosa, Alabama, USA
Computational Physics
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Author : Jos Thijssen
language : en
Publisher: Cambridge University Press
Release Date : 2007-03-22
Computational Physics written by Jos Thijssen 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 2007-03-22 with Computers categories.
First published in 2007, this second edition is for graduate students and researchers in theoretical, computational and experimental physics.