Table of Contents

Protein Folding.- Sidechain Dynamics and Protein Folding.- Applications of Statistical Mechanics to Biological Systems.- A Coarse Grain Model for Lipid Monolayer and Bilayer Studies.- Polymer Structure and Dynamics.- Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Systems.- Bridging the Time Scale Gap: How Does Foldable Polymer Navigate Its Conformation Space?.- Multiscale Computer Simulations for Polymeric Materials in Bulk and Near Surfaces.- Complex and Mesoscopic Fluids.- Effective Interactions for Large-Scale Simulations of Complex Fluids.- Slow Dynamics and Reactivity.- Simulation of Models for the Glass Transition: Is There Progress?.- Lattice Models.- Monte Carlo Methods for Bridging the Timescale Gap.- Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamics.- Multiscale Modelling in Materials Science.- Atomistic Simulations of Solid Friction.- Methodological Developments in MD and MC.- Bridging the Time Scale Gap with Transition Path Sampling.- The Stochastic Difference Equation as a Tool to Compute Long Time Dynamics.- Numerical Simulations of Molecular Systems with Long Range Interactions.- Perpectives in ab initio MD.- New Developments in Plane-Wave Based ab initio Calculations.- Time and Length Scales in ab initio Molecular Dynamics.- Quantum Simulations.- A Statistical Mechanical Theory of Quantum Dynamics in Classical Environments.- The Coupled Electronic-Ionic Monte Carlo Simulation Method.

Reviews

"[...] an excellent selection of articles. They are written by some of the best known scientists in this area of computational physics and chemistry. [...] The authors have tried to illuminate the general ideas behind the different simulation techniques and to present them in a clear manner. [...] I strongly recommend this book to all scientists who are interested in modern applications of computer simulations." (Andreas Heuer, ChemPhysChem 4/7, 2003)