FREE ENERGY COMPUTATIONS: A MATHEMATICAL PERSPECTIVE - Hardcover

Rousset, Mathias; Stoltz, Gabriel; Lelievre, Tony

Hardcover

ISBN 10: 1848162472 ISBN 13: 9781848162471

Publisher: Imperial College Pr, 2010

Synopsis

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.

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Review:

This book provides, in a very clear and efficient way, detailed foundations for the mathematical structure of the theory and for the numerical methods used in the book. It is unique in its scope at the intersection of numerical analysis, computational statistical mechanics, and Monte Carlo methods. -- Mathematical Reviews "Mathematical Reviews"

About this edition

• Publisher: Imperial College Pr
• Publication date: 2010
• ISBN 10: 1848162472
• ISBN 13: 9781848162471
• Binding: Hardcover
• Edition number: 1
• Number of pages: 458