FREE ENERGY COMPUTATIONS: A MATHEMATICAL PERSPECTIVE

Mathias Rousset, Gabriel Stoltz, Tony Lelièvre

ISBN 10: 1848162472 / ISBN 13: 9781848162471

Published by Imperial College Press, GB, 2010

About this Item

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.Sample Chapter(s).

Seller Inventory # LU-9781848162471

Bibliographic Details

• Title: FREE ENERGY COMPUTATIONS: A MATHEMATICAL PERSPECTIVE
• Publisher: Imperial College Press, GB
• Publication Date: 2010
• Language: English
• ISBN 10: 1848162472
• ISBN 13: 9781848162471
• Binding: Hardback
• Condition: New

About this title

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.

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"