By Peter J. Bond, Jonathan Cuthbertson, Sundeep S. Deol, Lucy R. Forrest (auth.), Benedict Leimkuhler, Christophe Chipot, Ron Elber, Aatto Laaksonen, Alan Mark, Tamar Schlick, Christoph Schütte, Robert Skeel (eds.)
Molecular simulation is a common software in biology, chemistry, physics and engineering. This booklet incorporates a choice of articles by way of top researchers who're constructing new tools for molecular modelling and simulation. themes addressed the following contain: multiscale formulations for biomolecular modelling, comparable to quantum-classical tools and complicated solvation innovations; protein folding equipment and schemes for sampling advanced landscapes; membrane simulations; loose power calculation; and methods for making improvements to ergodicity. The e-book is intended to be worthwhile for practitioners within the simulation group and for these new to molecular simulation who require a wide creation to the cutting-edge.