Computer Meets Theoretical Physics

Computer Meets Theoretical Physics

Author: Giovanni Battimelli

Publisher: Springer Nature

Published: 2020-06-17

Total Pages: 214

ISBN-13: 3030393992

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This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers. Since their inception, electronic computers have enormously increased their performance, thus making possible the unprecedented technological revolution that characterizes our present times. This obvious technological advancement has brought with it a silent scientific revolution in the practice of theoretical physics. In particular, in the physics of matter it has opened up a direct route from the microscopic physical laws to observable phenomena. One can now study the time evolution of systems composed of millions of molecules, and simulate the behaviour of macroscopic materials and actually predict their properties. Molecular simulation has provided a new theoretical and conceptual tool that physicists could only dream of when the foundations of statistical mechanics were laid. Molecular simulation has undergone impressive development, both in the size of the scientific community involved and in the range and scope of its applications. It has become the ubiquitous workhorse for investigating the nature of complex condensed matter systems in physics, chemistry, materials and the life sciences. Yet these developments remain largely unknown outside the inner circles of practitioners, and they have so far never been described for a wider public. The main objective of this book is therefore to offer a reasonably comprehensive reconstruction of the early history of molecular simulation addressed to an audience of both scientists and interested non-scientists, describing the scientific and personal trajectories of the main protagonists and discussing the deep conceptual innovations that their work produced.


Information, Physics, and Computation

Information, Physics, and Computation

Author: Marc Mézard

Publisher: Oxford University Press

Published: 2009-01-22

Total Pages: 584

ISBN-13: 019857083X

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A very active field of research is emerging at the frontier of statistical physics, theoretical computer science/discrete mathematics, and coding/information theory. This book sets up a common language and pool of concepts, accessible to students and researchers from each of these fields.


Statistical Mechanics: Theory and Molecular Simulation

Statistical Mechanics: Theory and Molecular Simulation

Author: Mark Tuckerman

Publisher: OUP Oxford

Published: 2010-02-11

Total Pages: 719

ISBN-13: 0191523461

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Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.


Computational Physics

Computational Physics

Author: Philipp Scherer

Publisher: Springer Science & Business Media

Published: 2013-07-17

Total Pages: 456

ISBN-13: 3319004018

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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.


Qigong Meets Quantum Physics:

Qigong Meets Quantum Physics:

Author: Imke Bock-Möbius

Publisher: Lulu.com

Published: 2012-01-01

Total Pages: 157

ISBN-13: 1931483213

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This book succeeds in presenting both an easily accessible outline of quantum physics and also an appreciation of mysticism beyond vagueness and obscurity. From here it describes the physical and mental movements of qigong as a way of integrating body and mind, head and heart, detailing specific exercises and outlining their rationale and effects.


Theoretical Mechanics of Particles and Continua

Theoretical Mechanics of Particles and Continua

Author: Alexander L. Fetter

Publisher: Courier Corporation

Published: 2003-12-16

Total Pages: 596

ISBN-13: 0486432610

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This two-part text fills what has often been a void in the first-year graduate physics curriculum. Through its examination of particles and continua, it supplies a lucid and self-contained account of classical mechanics — which in turn provides a natural framework for introducing many of the advanced mathematical concepts in physics. The text opens with Newton's laws of motion and systematically develops the dynamics of classical particles, with chapters on basic principles, rotating coordinate systems, lagrangian formalism, small oscillations, dynamics of rigid bodies, and hamiltonian formalism, including a brief discussion of the transition to quantum mechanics. This part of the book also considers examples of the limiting behavior of many particles, facilitating the eventual transition to a continuous medium. The second part deals with classical continua, including chapters on string membranes, sound waves, surface waves on nonviscous fluids, heat conduction, viscous fluids, and elastic media. Each of these self-contained chapters provides the relevant physical background and develops the appropriate mathematical techniques, and problems of varying difficulty appear throughout the text.


Quantum Steampunk

Quantum Steampunk

Author: Nicole Yunger Halpern

Publisher: JHU Press

Published: 2022-04-12

Total Pages: 305

ISBN-13: 1421443724

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"The science-fiction genre known as steampunk juxtaposes futuristic technologies with Victorian settings. This fantasy is becoming reality at the intersection of two scientific fields-twenty-first-century quantum physics and nineteenth-century thermodynamics, or the study of energy-in a discipline known as quantum steampunk"--


Machine Learning Meets Quantum Physics

Machine Learning Meets Quantum Physics

Author: Kristof T. Schütt

Publisher: Springer Nature

Published: 2020-06-03

Total Pages: 473

ISBN-13: 3030402452

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Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.


A Survey of Computational Physics

A Survey of Computational Physics

Author: Rubin Landau

Publisher: Princeton University Press

Published: 2011-10-30

Total Pages: 685

ISBN-13: 1400841186

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Computational physics is a rapidly growing subfield of computational science, in large part because computers can solve previously intractable problems or simulate natural processes that do not have analytic solutions. The next step beyond Landau's First Course in Scientific Computing and a follow-up to Landau and Páez's Computational Physics, this text presents a broad survey of key topics in computational physics for advanced undergraduates and beginning graduate students, including new discussions of visualization tools, wavelet analysis, molecular dynamics, and computational fluid dynamics. By treating science, applied mathematics, and computer science together, the book reveals how this knowledge base can be applied to a wider range of real-world problems than computational physics texts normally address. Designed for a one- or two-semester course, A Survey of Computational Physics will also interest anyone who wants a reference on or practical experience in the basics of computational physics. Accessible to advanced undergraduates Real-world problem-solving approach Java codes and applets integrated with text Companion Web site includes videos of lectures


The Theory of Open Quantum Systems

The Theory of Open Quantum Systems

Author: Heinz-Peter Breuer

Publisher: Oxford University Press, USA

Published: 2002

Total Pages: 648

ISBN-13: 9780198520634

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This book treats the central physical concepts and mathematical techniques used to investigate the dynamics of open quantum systems. To provide a self-contained presentation the text begins with a survey of classical probability theory and with an introduction into the foundations of quantum mechanics with particular emphasis on its statistical interpretation. The fundamentals of density matrix theory, quantum Markov processes and dynamical semigroups are developed. The most important master equations used in quantum optics and in the theory of quantum Brownian motion are applied to the study of many examples. Special attention is paid to the theory of environment induced decoherence, its role in the dynamical description of the measurement process and to the experimental observation of decohering Schrodinger cat states. The book includes the modern formulation of open quantum systems in terms of stochastic processes in Hilbert space. Stochastic wave function methods and Monte Carlo algorithms are designed and applied to important examples from quantum optics and atomic physics, such as Levy statistics in the laser cooling of atoms, and the damped Jaynes-Cummings model. The basic features of the non-Markovian quantum behaviour of open systems are examined on the basis of projection operator techniques. In addition, the book expounds the relativistic theory of quantum measurements and discusses several examples from a unified perspective, e.g. non-local measurements and quantum teleportation. Influence functional and super-operator techniques are employed to study the density matrix theory in quantum electrodynamics and applications to the destruction of quantum coherence are presented. The text addresses graduate students and lecturers in physics and applied mathematics, as well as researchers with interests in fundamental questions in quantum mechanics and its applications. Many analytical methods and computer simulation techniques are developed and illustrated with the help of numerous specific examples. Only a basic understanding of quantum mechanics and of elementary concepts of probability theory is assumed.