Home » New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering) by Benedict Leimkuhler
New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering) Benedict Leimkuhler

New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering)

Benedict Leimkuhler

Published December 20th 2005
ISBN :
Kindle Edition
367 pages
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 About the Book 

Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed hereMoreMolecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques- protein folding methods and schemes for sampling complex landscapes- membrane simulations- free energy calculation- and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.