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.

This comprehensive collection of lectures by leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. Volume 2 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems.

Unique coverage of Monte Carlo methods for both continuum and lattice systems, explaining particularly analysis of phase transitions.

Reinvigorated by advances and insights the quantum theory of irreversible processes has recently attracted growing attention. This volume introduces the very basic concepts of semigroup dynamics of open quantum systems and reviews a variety of modern applications. Originally published as Volume 286 (1987) in Lecture in Physics, this volume has been newly typeset, revised and corrected and also expanded to include a review on recent developments.

Monte Carlo Simulation in Statistical Physics deals with the computer simulation of many-body systems in condensed-matter physics and related fields of physics, chemistry and beyond, to traffic flows, stock market fluctuations, etc.). Using random numbers generated by a computer, probability distributions are calculated, allowing the estimation of the thermodynamic properties of various systems. This book describes the theoretical background to several variants of these Monte Carlo methodsand gives a systematic presentation from which newcomers can learn to perform such simulations and to analyze their results. The fifth edition covers Classical as well as Quantum Monte Carlo methods. Furthermore a new chapter on the sampling of free energy landscapes has been added. To help students in their work a special web server has been installed to host programs and discussion groups (http://wwwcp.tphys.uni-heidelberg.de). Prof. Binder was the winner of the Berni J. Alder CECAM Award for Computational Physics 2001 as well as the Boltzmann Medal in 2007.

Understanding cooperative phenomena far from equilibrium is one of the fascinating challenges of present-day many-body physics. Glassy behaviour and the physical ageing process of such materials are paradigmatic examples. The present volume, primarily intended as introduction and reference, collects six extensive lectures addressing selected experimental and theoretical issues in the field of glassy systems.

This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave in liquid state. This essential introduction to this rapidly growing field is complete with illustrative computer code.

Photoemission spectroscopy is one of the most extensively used methods to study the electronic structure of atoms, molecules, and solids and their surfaces. This volume introduces and surveys the field at highest energy and momentum resolutions allowing for a new range of applications, in particular for studies of high temperature superconductors.

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.

This Special Issue of Membranes focuses on several new aspects of fluid transport in glassy polymers, with application in relevant membrane separations such as gas purification, VOC removal and CO2 capture. In particular, the focus lies on novel experimental techniques, and detailed characterization of specific phenomena like polar and multicomponent interactions during transport. The properties of novel materials, such as mixed matrix membranes based on glassy polymers and different selective fillers, are also presented. A critical review of existing modeling approaches to describe the sorption and transport in glassy polymers suitable for membrane separations is provided, including both macroscopic and atomistic models, and relying both on the standard solution–diffusion process and on the facilitated transport mechanism.