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.
Download or read book Classical and Quantum Dynamics in Condensed Phase Simulations written by Bruce J. Berne and published by . This book was released on 1998 with total page 829 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in the Computer Simulations of Liquid Crystals written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 1999-12-31 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Study Institute, Erice, 11-21 June 1998
Download or read book Electron Dynamics In Molecular Interactions Principles And Applications written by Frank Hagelberg and published by World Scientific. This book was released on 2013-12-23 with total page 968 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes — an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom.Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electronic problem in quantum molecular dynamics, contrasting them with more traditional schemes. The presented models are derived from their roots in basic quantum theory, their interrelations are discussed, and their characteristic applications to concrete chemical systems are outlined. This volume also includes an assessment of the present status of electron dynamics and a report on novel developments to meet the current challenges in the field.Further, this monograph responds to a need for a systematic comparative treatise on nonadiabatic theories of quantum molecular dynamics, which are of considerably higher complexity than the more traditional adiabatic approaches and are steadily gaining in importance. This volume addresses a broad readership ranging from physics or chemistry graduate students to specialists in the field of theoretical quantum dynamics.
Download or read book Exploration on Quantum Chemical Potential Energy Surfaces written by Koichi Ohno and published by Royal Society of Chemistry. This book was released on 2022-12-12 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing several examples, this book describes fundamental methods and techniques specific for efficient exploration on the potential energy surface by quantum chemical calculations.
Download or read book Computational Materials System Design written by Dongwon Shin and published by Springer. This book was released on 2017-11-10 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
Download or read book Computational Electrochemistry written by S. Paddison and published by The Electrochemical Society. This book was released on 2015-12-28 with total page 49 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Uncertainty Quantification in Multiscale Materials Modeling written by Yan Wang and published by Woodhead Publishing. This book was released on 2020-03-10 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales. Synthesizes available UQ methods for materials modeling Provides practical tools and examples for problem solving in modeling material behavior across various length scales Demonstrates UQ in density functional theory, molecular dynamics, kinetic Monte Carlo, phase field, finite element method, multiscale modeling, and to support decision making in materials design Covers quantum, atomistic, mesoscale, and engineering structure-level modeling and simulation
Download or read book Clusters And Fullerenes Proceedings Of The Adriatico Research Conference written by V Kumar and published by World Scientific. This book was released on 1993-02-05 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years very active research has been going on to understand the physics and chemistry of clusters, an intermediate state of matter between atoms and solids. Great excitement has been added to these efforts with the recent discovery of a new form of carbon, the fullerene and its aggregates, and subsequent observations of superconductivity with alkali doping. This volume critically reviews the recent progress made in the area of clusters and discusses the new problems opened up with the ongoing developments in fullerenes.
Download or read book Subject Guide to Books in Print written by and published by . This book was released on 1997 with total page 3310 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Index of Conference Proceedings written by British Library. Document Supply Centre and published by . This book was released on 1999 with total page 844 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Classical and Quantum Physics written by G. Marmo and published by Springer Nature. This book was released on 2019-10-26 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: This proceedings is based on the interdisciplinary workshop held in Madrid, 5-9 March 2018, dedicated to Alberto Ibort on his 60th birthday. Alberto has great and significantly contributed to many fields of mathematics and physics, always with highly original and innovative ideas.Most of Albertos’s scientific activity has been motivated by geometric ideas, concepts and tools that are deeply related to the framework of classical dynamics and quantum mechanics.Let us mention some of the fields of expertise of Alberto Ibort:Geometric Mechanics; Constrained Systems; Variational Principles; Multisymplectic structures for field theories; Super manifolds; Inverse problem for Bosonic and Fermionic systems; Quantum Groups, Integrable systems, BRST Symmetries; Implicit differential equations; Yang-Mills Theories; BiHamiltonian Systems; Topology Change and Quantum Boundary Conditions; Classical and Quantum Control; Orthogonal Polynomials; Quantum Field Theory and Noncommutative Spaces; Classical and Quantum Tomography; Quantum Mechanics on phase space; Wigner-Weyl formalism; Lie-Jordan Algebras, Classical and Quantum; Quantum-to-Classical transition; Contraction of Associative Algebras; contact geometry, among many others.In each contribution, one may find not only technical novelties but also completely new way of looking at the considered problems. Even an experienced reader, reading Alberto's contributions on his field of expertise, will find new perspectives on the considered topic.His enthusiasm is happily contagious, for this reason he has had, and still has, very bright students wishing to elaborate their PhD thesis under his guidance.What is more impressive, is the broad list of rather different topics on which he has contributed.
Download or read book Quantum Dynamics for Classical Systems written by Fabio Bagarello and published by John Wiley & Sons. This book was released on 2012-11-05 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduces number operators with a focus on the relationship between quantum mechanics and social science Mathematics is increasingly applied to classical problems in finance, biology, economics, and elsewhere. Quantum Dynamics for Classical Systems describes how quantum tools—the number operator in particular—can be used to create dynamical systems in which the variables are operator-valued functions and whose results explain the presented model. The book presents mathematical results and their applications to concrete systems and discusses the methods used, results obtained, and techniques developed for the proofs of the results. The central ideas of number operators are illuminated while avoiding excessive technicalities that are unnecessary for understanding and learning the various mathematical applications. The presented dynamical systems address a variety of contexts and offer clear analyses and explanations of concluded results. Additional features in Quantum Dynamics for Classical Systems include: Applications across diverse fields including stock markets and population migration as well as a unique quantum perspective on these classes of models Illustrations of the use of creation and annihilation operators for classical problems Examples of the recent increase in research and literature on the many applications of quantum tools in applied mathematics Clarification on numerous misunderstandings and misnomers while shedding light on new approaches in the field Quantum Dynamics for Classical Systems is an ideal reference for researchers, professionals, and academics in applied mathematics, economics, physics, biology, and sociology. The book is also excellent for courses in dynamical systems, quantum mechanics, and mathematical models.
Download or read book The Journal of Chemical Physics written by and published by . This book was released on 2003 with total page 1248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Geometric Phases in Classical and Quantum Mechanics written by Dariusz Chruscinski and published by Birkhäuser. This book was released on 2013-01-11 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: Several well-established geometric and topological methods are used in this work in an application to a beautiful physical phenomenon known as the geometric phase. This book examines the geometric phase, bringing together different physical phenomena under a unified mathematical scheme. The material is presented so that graduate students and researchers in applied mathematics and physics with an understanding of classical and quantum mechanics can handle the text.
Download or read book Subject Guide to Children s Books in Print 1997 written by Bowker Editorial Staff and published by R. R. Bowker. This book was released on 1996-09 with total page 2776 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Directory of Published Proceedings written by and published by . This book was released on 1999 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt:
