tailieunhanh - SIMULATING THE PHYSICAL WORLD Hierarchical Modeling from Quantum Mechanics to Fluid Dynamics

This book was conceived as a result of many years research with students and postdocs in molecular simulation, and shaped over several courses on the subject given at the University of Groningen, the Eidgen¨ossische Technische Hochschule (ETH) in Z¨urich, the University of Cambridge, UK, the University of Rome (La Sapienza), and the University of North Carolina at Chapel Hill, NC, USA. The leading theme has been the truly interdisciplinary character of molecular simulation: its gamma of methods and models encompasses the sciences ranging from advanced theoretical physics to very applied (bio)technology, and it attracts chemists and biologists with limited mathematical training as well as physicists, computer scientists and mathematicians | Simulating the Physical World Hierarchical Modeling from Quantum Mechanics to Fluid Dynamics Cambridge g 9780521835275 This page intentionally left blank SIMULATING THE PHYSICAL WORLD The simulation of physical systems requires a simplified hierarchical approach which models each level from the atomistic to the macroscopic scale. From quantum mechanics to fluid dynamics this book systematically treats the broad scope of computer modeling and simulations describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to their applications giving the reader insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. With a strong emphasis on molecular models in chemistry and biochemistry this book will be suitable for advanced undergraduate and graduate courses on molecular modeling and simulation within physics biophysics physical chemistry and materials science. It will also be a useful reference to all those working in the field. Additional resources for this title including solutions for instructors and programs are available online at 9780521835275. Herman J. c. Berendsen is Emeritus Professor of Physical Chemistry at the University of Groningen. His research focuses on biomolecular modeling and computer simulations of complex systems. He has taught hierarchical modeling worldwide and is highly regarded in this .