Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 2

ISBN-13: 9783540352839 / Angielski / Twarda / 2006 / 592 str.

Mauro Ferrario;Giovanni Ciccotti;Kurt Binder

Opis

This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 2 offers surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, including supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.

Spis treści

Computer Simulation of Supercooled Liquids: W. Kob.- Numerical Simulations of Spin Glasses: Methods And Some Recent Results: A.P. Young.- Dipolar Fluctuations in the Bulk and at Interfaces: V. Ballenegger, R. Blaak and J-P. Hansen.- Theory and Simulation of Friction and Lubrication: M.H. Mueser.- Simulation of Nanodroplets on Solid Surfaces: Wetting, Spreading and Bridging: A. Milchev.- Monte Carlo Simulations of Compressible Ising Models: Do We Understand Them?: D.P. Landau, B. Dunweg, M. Laradji, F. Tavazza, J. Adler, L. Cannavaccioulo and X Zhu.- Computer Simulation of Colloidal Suspensions: H. Loewen.- Phase Transitions of Model Colloids in External Fields: P. Nielaba.- Computer Simulation of Liquid Crystals: M.P. Allen.- Coarse-Grained Moels of Complex Fluieds at Equlibrium and Unter Shear: F. Schmid.- Mesoscopic Simulations of Biological Membranes: B.Smit, M. Kraneburg, M.M. Sperotto and M. Venturoli.- Mircroscopic Elasticity of Complex Systems: J-L. Barrat.- Mesoscopic Simulatons for Problems With Hysdrodynamics, With Emphasis on Polymer Dynamics: B. Duenweg.- Polymer Dynamics: Long Time Simulatons and Topological Constraints: K. Kremer.- Reaction Kinetica of Coarse-Grained Equilibrium Polymers: a Brownian Dynamics Study: C-C. Huang, H. Xu, F. Creve, J. Wittmer and J-P. Ryckaert.- Equlibration and Coarse-Grining Methods for Polymers: D.N. Theodorou.- Drug-Targe Binding Investigated by Quantum Mechanical/Molecular Mechanics Methods: U. Roethlisberger and P. Carloni.- Rdox Freee Energies From Vertical Energy Gaps: Ab Initio Molecular Dynamics Implementation: J. Blumberger and M. Sprik.- Advanced Car-Parrinello Techniques: Path Integrals and Nonadiabaticity in Condensed Matter Simulations: D. Marx.- Evolutionary Design in Biological Physics and Materials Science: M. Yan, J-M. Park and M.W. Deem.- Monte-Carlo Methods in Studies of Protein Folding and Evolution: E. Shakhnovich.

Blurb

This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1, published as LNP 703 (ISBN 3-540-35270-8) is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. It will enable the graduate student and both the specialist and nonspecialist researcher to get acquainted with the tools necessary to carry out numerical simulations at an advanced level. The present volume is a state-of-the-art survey on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, such as supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.