Free Energy Computations: A Mathematical Perspective
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A01=Gabriel Stoltz
A01=Mathias Rousset
A01=Tony Lelievre
Adaptive Methods
Author_Gabriel Stoltz
Author_Mathias Rousset
Author_Tony Lelievre
Category=PBW
Computational Physics
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eq_isMigrated=2
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Free Energy
Molecular Dynamics
Non-Equilibrium Methods
Parallel Computation
Stochastic Processes
Product details
- ISBN 9781848162471
- Publication Date: 14 Jun 2010
- Publisher: Imperial College Press
- Publication City/Country: GB
- Product Form: Hardback
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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.
