Monte Carlo Methods In Chemical Physics
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Monte Carlo Methods In Chemical Physics
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Author : David M. Ferguson
language : en
Publisher: Wiley-Interscience
Release Date : 1999
Monte Carlo Methods In Chemical Physics written by David M. Ferguson and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999 with Mathematics categories.
In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: "Variational" QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman
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.
Computer Simulation In Chemical Physics
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Author : M.P. Allen
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computer Simulation In Chemical Physics written by M.P. Allen 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 in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software. All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings.
Monte Carlo Methods In Quantum Problems
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Author : M.H. Kalos
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Monte Carlo Methods In Quantum Problems written by M.H. Kalos 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.
Monte Carlo methods have been a tool of theoretical and computational scientists for many years. In particular, the invention and percolation of the algorithm of Metropolis, Rosenbluth, Rosenbluth, Teller, and Teller sparked a rapid growth of applications to classical statistical mechanics. Although proposals for treatment of quantum systems had been made even earlier, only a few serious calculations had heen carried out. Ruch calculations are generally more consuming of computer resources than for classical systems and no universal algorithm had--or indeed has yet-- emerged. However, with advances in techniques and in sheer computing power, Monte Carlo methods have been used with considerable success in treating quantum fluids and crystals, simple models of nuclear matter, and few-body nuclei. Research at several institutions suggest that they may offer a new approach to quantum chemistry, one that is independent of basis ann yet capable of chemical accuracy. That. Monte Carlo methods can attain the very great precision needed is itself a remarkable achievement. More recently, new interest in such methods has arisen in two new a~as. Particle theorists, in particular K. Wilson, have drawn attention to the rich analogy between quantum field theoty and statistical mechanics and to the merits of Monte Carlo calculations for lattice gauge theories. This has become a rapidly growing sub-field. A related development is associated with lattice problems in quantum physics, particularly with models of solid state systems. The~ is much ferment in the calculation of various one-dimensional problems such as the'Hubbard model.
Monte Carlo Methods In Ab Initio Quantum Chemistry
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Author : Brian L Hammond
language : en
Publisher: World Scientific
Release Date : 1994-03-29
Monte Carlo Methods In Ab Initio Quantum Chemistry written by Brian 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 1994-03-29 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:
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.
Exploring Monte Carlo Methods
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Author : William L. Dunn
language : en
Publisher: Elsevier
Release Date : 2022-06-07
Exploring Monte Carlo Methods written by William L. Dunn and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-07 with Science categories.
Exploring Monte Carlo Methods, Second Edition provides a valuable introduction to the numerical methods that have come to be known as "Monte Carlo." This unique and trusted resource for course use, as well as researcher reference, offers accessible coverage, clear explanations and helpful examples throughout. Building from the basics, the text also includes applications in a variety of fields, such as physics, nuclear engineering, finance and investment, medical modeling and prediction, archaeology, geology and transportation planning. - Provides a comprehensive yet concise treatment of Monte Carlo methods - Uses the famous "Buffon's needle problem" as a unifying theme to illustrate the many aspects of Monte Carlo methods - Includes numerous exercises and useful appendices on: Certain mathematical functions, Bose Einstein functions, Fermi Dirac functions and Watson functions
Irc Set 2020
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Author : Huaqun Guo
language : en
Publisher: Springer Nature
Release Date : 2021-05-11
Irc Set 2020 written by Huaqun Guo and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-11 with Science categories.
This book highlights leading-edge research in multi-disciplinary areas in Physics, Engineering, Medicine, and Health care, from the 6th IRC Conference on Science, Engineering and Technology (IRC-SET 2020) held in July 2020 at Singapore. The papers were shortlisted after extensive rounds of reviews by a panel of esteemed individuals who are pioneers in their domains. The book also contains excerpts of the speeches by eminent personalities who graced the occasion, thereby providing written documentation of the event.
Monte Carlo Simulation In Statistical Physics
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Author : Kurt Binder
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-11
Monte Carlo Simulation In Statistical Physics written by Kurt Binder 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 2013-11-11 with Science categories.
When learning very formal material one comes to a stage where one thinks one has understood the material. Confronted with a "realiife" problem, the passivity of this understanding sometimes becomes painfully elear. To be able to solve the problem, ideas, methods, etc. need to be ready at hand. They must be mastered (become active knowledge) in order to employ them successfully. Starting from this idea, the leitmotif, or aim, of this book has been to elose this gap as much as possible. How can this be done? The material presented here was born out of a series of lectures at the Summer School held at Figueira da Foz (Portugal) in 1987. The series of lectures was split into two concurrent parts. In one part the "formal material" was presented. Since the background of those attending varied widely, the presentation of the formal material was kept as pedagogic as possible. In the formal part the general ideas behind the Monte Carlo method were developed. The Monte Carlo method has now found widespread appli cation in many branches of science such as physics, chemistry, and biology. Because of this, the scope of the lectures had to be narrowed down. We could not give a complete account and restricted the treatment to the ap plication of the Monte Carlo method to the physics of phase transitions. Here particular emphasis is placed on finite-size effects.
Encyclopedia Of Chemical Physics And Physical Chemistry
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Author : John H. Moore
language : en
Publisher: CRC Press
Release Date : 2023-07-03
Encyclopedia Of Chemical Physics And Physical Chemistry written by John H. Moore and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-07-03 with Science categories.
The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections: FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research. For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.