Free Energy Computations: A Mathematical Perspective

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.

Author: Mathias Rousset

Publisher: Imperial College Press

Publication Date: Oct 30, 2010

Number of Pages: 472 pages

Binding: Hardback or Cased Book

ISBN-10: 1848162472

ISBN-13: 9781848162471