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Free Energy Computations: A Mathematical Perspective

By Tony Lelievre (Author)

This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point …



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Avram Maddox

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.

Language: english
ISBN 10: 1848162472
ISBN 13: 9781848162471
Year: 2010
Pages: 471
File Type: PDF

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