Free Energy Computations

Download or read book Free Energy Computations written by Tony LeliŠvre and published by World Scientific. This book was released on 2010 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.