Rugged Free Energy Landscapes : Common Computational Approaches to Spin Glasses, Structural Glasses and Biological Macromolecules (Lecture Notes in Ph

Janke, Wolfhard

Springer（2010/11発売）

• 製本 Paperback:紙装版/ペーパーバック版／ページ数 422 p.
• 言語 ENG
• 商品コード 9783642093326
• DDC分類 530

Full Description

This volume on spin glasses, structural glasses and biological macromolecules collects pedagogically written lecture notes of internationally renowned - perts from eight countries, who work on di?erent physical problems but - ploy similar theoretical concepts and computational methods. The research into at ?rst sight quite di?erent physical phenomena, therefore, faces related problems, whose origin can be traced back to the di?culties of numerical simulations of systems with rugged free-energy landscapes. Many of the or- inal publications presuppose quite specialized "common" knowledge, usually readily accessible only to the experts in each of these ?elds. Moreover, they are typically published in quite di?erent sets of scienti?c journals. The main objective of these Lecture Notes is, therefore, to provide the necessary ba- ground material in a coherent fashion and thereby to initialize knowledge transfer of advanced methodologies across the boundaries of the disciplines. It can be anticipated that future successful computer simulation studies of static and dynamic properties of the three systems considered here as well as the further development of improved numerical algorithms will greatly pro?t from an interaction among researchers in these di?erent ?elds. More speci?cally, the merits and drawbacksof the various variants of g- eralized ensemble methods as employed in computational studies of glassy systems and biomolecules as well as the complicated interplay of di?erent - gorithms in combined methods are discussed from rather di?erent viewpoints in this volume.

Contents

Rugged Free-Energy Landscapes - An Introduction.- Rugged Free-Energy Landscapes - An Introduction.- Spin Glasses.- Some Aspects of Infinite-Range Models of Spin Glasses: Theory and Numerical Simulations.- The Potts Glass Model: A Scenario for the Freezing Transition of Structural Glasses?.- Domain Walls, Droplets and Barriers in Two-Dimensional Ising Spin Glasses.- Local Scale-Invariance in Disordered Systems.- Structural Glasses.- Transport of Mobile Particles in an Immobile Environment: Computer Simulations of Sodium Silicates.- The Gonihedric Ising Model and Glassiness.- Protein Folding.- Thermodynamics of Protein Folding from Coarse-Grained Models' Perspectives.- Exact Energy Landscapes of Proteins Using a Coarse-Grained Model.- Protein Folding, Unfolding and Aggregation Studied Using an All-Atom Model with‾a‾Simplified Interaction Potential.- All-Atom Simulations of Proteins.- Algorithmic Developments.- Markov Chain Monte Carlo Methods for Simulations of Biomolecules.- A Different Approach to Monte Carlo Simulations in Systems with Complex Free-Energy Landscapes.- Generalized-Ensemble Algorithms for Protein Folding Simulations.