Free Energy Computations A Mathematical Perspective
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Free Energy Computations A Mathematical Perspective
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Author : Mathias Rousset
language : en
Publisher: World Scientific
Release Date : 2010-06-10
Free Energy Computations A Mathematical Perspective written by Mathias Rousset and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-06-10 with Mathematics categories.
This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics./a
Computational Biophysics Of Membrane Proteins
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Author : Carmen Domene
language : en
Publisher: Royal Society of Chemistry
Release Date : 2016-11-30
Computational Biophysics Of Membrane Proteins written by Carmen Domene and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-30 with Science categories.
Exploring current themes in modern computational and membrane protein biophysics, this book presents a comprehensive account of the fundamental principles underlying different methods and techniques used to describe the intriguing mechanisms by which membrane proteins function. The book discusses the experimental approaches employed to study these proteins, with chapters reviewing recent crucial structural advances that have allowed computational biophysicists to discern how these molecular machines work. The book then explores what computational methods are available to researchers and what these have taught us about three key families of membrane proteins: ion channels, transporters and receptors. The book is ideal for researchers in computational chemistry and computational biophysics.
Innovations In Biomolecular Modeling And Simulations
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Author : Tamar Schlick
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012
Innovations In Biomolecular Modeling And Simulations written by Tamar Schlick and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Biomolecules categories.
This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.
Mathematical Tools For Physicists
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Author : Michael Grinfeld
language : en
Publisher: John Wiley & Sons
Release Date : 2015-01-12
Mathematical Tools For Physicists written by Michael Grinfeld 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 2015-01-12 with Science categories.
The new edition is significantly updated and expanded. This unique collection of review articles, ranging from fundamental concepts up to latest applications, contains individual contributions written by renowned experts in the relevant fields. Much attention is paid to ensuring fast access to the information, with each carefully reviewed article featuring cross-referencing, references to the most relevant publications in the field, and suggestions for further reading, both introductory as well as more specialized. While the chapters on group theory, integral transforms, Monte Carlo methods, numerical analysis, perturbation theory, and special functions are thoroughly rewritten, completely new content includes sections on commutative algebra, computational algebraic topology, differential geometry, dynamical systems, functional analysis, graph and network theory, PDEs of mathematical physics, probability theory, stochastic differential equations, and variational methods.
Molecular Dynamics Simulation
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Author : Giovanni Ciccotti
language : en
Publisher: MDPI
Release Date : 2018-10-08
Molecular Dynamics Simulation written by Giovanni Ciccotti and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-08 with Science categories.
Printed Edition of the Special Issue Published in Entropy
Population Based Optimization On Riemannian Manifolds
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Author : Robert Simon Fong
language : en
Publisher: Springer Nature
Release Date : 2022-05-17
Population Based Optimization On Riemannian Manifolds written by Robert Simon Fong and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-17 with Technology & Engineering categories.
Manifold optimization is an emerging field of contemporary optimization that constructs efficient and robust algorithms by exploiting the specific geometrical structure of the search space. In our case the search space takes the form of a manifold. Manifold optimization methods mainly focus on adapting existing optimization methods from the usual “easy-to-deal-with” Euclidean search spaces to manifolds whose local geometry can be defined e.g. by a Riemannian structure. In this way the form of the adapted algorithms can stay unchanged. However, to accommodate the adaptation process, assumptions on the search space manifold often have to be made. In addition, the computations and estimations are confined by the local geometry. This book presents a framework for population-based optimization on Riemannian manifolds that overcomes both the constraints of locality and additional assumptions. Multi-modal, black-box manifold optimization problems on Riemannian manifolds can be tackled using zero-order stochastic optimization methods from a geometrical perspective, utilizing both the statistical geometry of the decision space and Riemannian geometry of the search space. This monograph presents in a self-contained manner both theoretical and empirical aspects of stochastic population-based optimization on abstract Riemannian manifolds.
Molecular Dynamics
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Author : Ben Leimkuhler
language : en
Publisher: Springer
Release Date : 2015-05-18
Molecular Dynamics written by Ben Leimkuhler and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-05-18 with Mathematics categories.
This book describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods. Molecular dynamics is one of the most versatile and powerful methods of modern computational science and engineering and is used widely in chemistry, physics, materials science and biology. Understanding the foundations of numerical methods means knowing how to select the best one for a given problem (from the wide range of techniques on offer) and how to create new, efficient methods to address particular challenges as they arise in complex applications. Aimed at a broad audience, this book presents the basic theory of Hamiltonian mechanics and stochastic differential equations, as well as topics including symplectic numerical methods, the handling of constraints and rigid bodies, the efficient treatment of Langevin dynamics, thermostats to control the molecular ensemble, multiple time-stepping, and the dissipative particle dynamics method.
Monte Carlo And Quasi Monte Carlo Methods
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Author : Aicke Hinrichs
language : en
Publisher: Springer Nature
Release Date : 2024-07-12
Monte Carlo And Quasi Monte Carlo Methods written by Aicke Hinrichs and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-07-12 with Mathematics categories.
This book presents the refereed proceedings of the 15th International Conference on Monte Carlo and Quasi-Monte Carlo Methods in Scientific Computing that was held in Linz, Austria, and organized by the Johannes Kepler University Linz and the Austrian Academy of Sciences, in July 2022. These biennial conferences are major events for Monte Carlo and quasi-Monte Carlo researchers. The proceedings include articles based on invited lectures as well as carefully selected contributed papers on all theoretical aspects and applications of Monte Carlo and quasi-Monte Carlo methods. Offering information on the latest developments in these highly active areas, this book is an excellent reference resource for theoreticians and practitioners interested in solving high-dimensional computational problems, in particular arising in finance, statistics and computer graphics.
Three Plays Of Maureen Hunter
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Author : Hunter, Maureen
language : en
Publisher: OIBooks-Libros
Release Date : 2003
Three Plays Of Maureen Hunter written by Hunter, Maureen and has been published by OIBooks-Libros this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Drama categories.
Book is clean and tight. No writing in text. Like New
Bayesian Statistics 9
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Author : José M. Bernardo
language : en
Publisher: Oxford University Press
Release Date : 2011-10-06
Bayesian Statistics 9 written by José M. Bernardo and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-06 with Mathematics categories.
Bayesian statistics is a dynamic and fast-growing area of statistical research and the Valencia International Meetings provide the main forum for discussion. These resulting proceedings form an up-to-date collection of research.