Computer simulations in condensed matter systems : from materials to chemical biology
著者
書誌事項
Computer simulations in condensed matter systems : from materials to chemical biology
（Lecture notes in physics, 703-704）
Springer, c2006
- v. 1
- v. 2
大学図書館所蔵 件 / 全24件
-
該当する所蔵館はありません
- すべての絞り込み条件を解除する
注記
Includes bibliographical references and index
内容説明・目次
- 巻冊次
-
v. 1 ISBN 9783540352709
内容説明
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.
目次
Introduction: G. Ciccotti, K. Binder and M. Ferrario.- Introduction to Cluster Monte Carlo Algorithms: E. Luijten.- Generic Sampling Strategies for Monte Carlo Simulation of Phase Behaviour: N. Wilding.- Simulation Techniques for Calculating Free Energies: M. Mueller and J.De Pablo.- Waste-Recycling Monte Carlo: D. Frenkel.- Equilibrium Statistical Mechanics, Non-Hamiltonian Molecular Dynamics, and Novel Applications From Resonance-Free Timesteps to Adiabatic Free Energy Dynamics: J.B. Abrams, ME. Tucherman and G.J. Maryna.- Simulating Charged Systems With ESPResSo: A. Arnold, B.A.F. Mann and C. Holm.- Density Functional Theory Based Ab-Initio Molecular Dynamics Using the Car-Parrinello Approach: R. Vuilleumier.- Large Scale Condensed Matter Calculations Using The Gaussian Augmented Plane Waves Method: J. Vande Vondele, M. Iannuzzi and J. Hutter.- Computing Free Energies and Accelerating Rare Events With Metadynamics: A. Laio and M. Parrinello.- Transition Path Sampling Methods: C. Dellago, P.G. Bolhuis and P. L. Geissler.- Sampling Kinetic Protein Folding Pathways Using All-Atom Models: P. Bolhuis.- Calculation of Classical Trajectoires With Boundary Value Formulation: R. Elber. Transition Path Theory: E. Vanden Eijnden.- Multiscale Modelling in Molecular Dynamics: Biomelecular Conformations as Metastable States: E. Meerbach, E. Dittmer, I. Hornenko and C. Schutte.- Transport Coefficients of Quantum-Classical Systems: R. Kapral and G. Ciccotti.- Linearized Path Inegral Methods for Quantum Time Correlation Functions: D. Coker and S. Bonella.- Ensemble Optimization Techniques for Classical and Quantum Systems: S. Trebst and M. Troyer.- The Coupled Electron-Ion MonteCarlo Method: C. Pierleoni and D. M. Ceperley.- Path Resummations and the Fermion Sign Problem: A. Alavi and A.J.W. Thom
- 巻冊次
-
v. 2 ISBN 9783540352839
内容説明
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.
目次
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.
「Nielsen BookData」 より
