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Zustand: New. 2020. Hardcover. . . . . . Books ship from the US and Ireland.

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Buch. Zustand: Neu. Neuware - A guide to the theoretical and computational toolkits for the modern study of molecular kinetics in condensed phasesMolecular Kinetics in Condensed Phases: Theory, Simulation and Analysis puts the focus on the theory, algorithms, simulations methods and analysis of molecular kinetics in condensed phases. The authors - noted experts on the topic - offer a detailed and thorough description of modern theories and simulation methods to model molecular events. They highlight the rigorous stochastic modelling of molecular processes and the use of mathematical models to reproduce experimental observations, such as rate coefficients, mean first passage times and transition path times.The book's exploration of simulations examines atomically detailed modelling of molecules in action and the connections of these simulations to theory and experiment. The authors also explore the applications that range from simple intuitive examples of one- and two-dimensional systems to complex solvated macromolecules. This important book:\* Offers an introduction to the topic that combines theory, simulation and analysis\* Presents a guide written by authors that are well-known and highly regarded leaders in their fields\* Contains detailed examples and explanation of how to conduct computer simulations of kinetics. A detailed study of a two-dimensional system and of a solvated peptide are discussed.\* Discusses modern developments in the field and explains their connection to the more traditional concepts in chemical dynamicsWritten for students and academic researchers in the fields of chemical kinetics, chemistry, computational statistical mechanics, biophysics and computational biology, Molecular Kinetics in Condensed Phases is the authoritative guide to the theoretical and computational toolkits for the study of molecular kinetics in condensed phases.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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 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.

Paperback. Zustand: Brand New. 1st edition. 367 pages. 9.00x6.00x0.50 inches. In Stock.