Ebook: Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2
Author: W. Kob (auth.) Mauro Ferrario Professor Giovanni Ciccotti Professor Kurt Binder Professor (eds.)
- Tags: Condensed Matter, Numerical and Computational Methods, Materials Science, Statistical Physics, Theoretical and Computational Chemistry, Computational Science and Engineering
- Series: Lecture Notes in Physics 704
- Year: 2006
- Publisher: Springer-Verlag Berlin Heidelberg
- Edition: 1
- Language: English
- pdf
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.
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.
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.
Content:
Front Matter....Pages I-XVI
Computer Simulations of Supercooled Liquids....Pages 1-30
Numerical Simulations of Spin Glasses: Methods and Some Recent Results....Pages 31-44
Dipolar Fluctuations in the Bulk and at Interfaces....Pages 45-63
Theory and Simulation of Friction and Lubrication....Pages 65-104
Simulation of Nanodroplets on Solid Surfaces: Wetting, Spreading and Bridging....Pages 105-126
Monte Carlo Simulations of Compressible Ising Models: Do We Understand Them?....Pages 127-138
Computer Simulation of Colloidal Suspensions....Pages 139-161
Phase Transitions of Model Colloids in External Fields....Pages 163-189
Computer Simulation of Liquid Crystals....Pages 191-210
Coarse-Grained Models of Complex Fluids at Equilibrium and Under Shear....Pages 211-258
Mesoscopic Simulations of Biological Membranes....Pages 259-286
Microscopic Elasticity of Complex Systems....Pages 287-307
Mesoscopic Simulations for Problems with Hydrodynamics, with Emphasis on Polymer Dynamics....Pages 309-340
Polymer Dynamics: Long Time Simulations and Topological Constraints....Pages 341-378
Reaction Kinetics of Coarse-Grained Equilibrium Polymers: A Brownian Dynamics Study....Pages 379-418
Equilibration and Coarse-Graining Methods for Polymers....Pages 419-448
Drug-Target Binding Investigated by Quantum Mechanical/Molecular Mechanical (QM/MM) Methods....Pages 449-479
Redox Free Energies from Vertical Energy Gaps: Ab Initio Molecular Dynamics Implementation....Pages 481-506
Advanced Car–Parrinello Techniques: Path Integrals and Nonadiabaticity in Condensed Matter Simulations....Pages 507-539
Evolutionary Design in Biological Physics and Materials Science....Pages 541-562
Back Matter....Pages 595-599
Monte-Carlo Methods in Studies of Protein Folding and Evolution....Pages 563-593
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.
Content:
Front Matter....Pages I-XVI
Computer Simulations of Supercooled Liquids....Pages 1-30
Numerical Simulations of Spin Glasses: Methods and Some Recent Results....Pages 31-44
Dipolar Fluctuations in the Bulk and at Interfaces....Pages 45-63
Theory and Simulation of Friction and Lubrication....Pages 65-104
Simulation of Nanodroplets on Solid Surfaces: Wetting, Spreading and Bridging....Pages 105-126
Monte Carlo Simulations of Compressible Ising Models: Do We Understand Them?....Pages 127-138
Computer Simulation of Colloidal Suspensions....Pages 139-161
Phase Transitions of Model Colloids in External Fields....Pages 163-189
Computer Simulation of Liquid Crystals....Pages 191-210
Coarse-Grained Models of Complex Fluids at Equilibrium and Under Shear....Pages 211-258
Mesoscopic Simulations of Biological Membranes....Pages 259-286
Microscopic Elasticity of Complex Systems....Pages 287-307
Mesoscopic Simulations for Problems with Hydrodynamics, with Emphasis on Polymer Dynamics....Pages 309-340
Polymer Dynamics: Long Time Simulations and Topological Constraints....Pages 341-378
Reaction Kinetics of Coarse-Grained Equilibrium Polymers: A Brownian Dynamics Study....Pages 379-418
Equilibration and Coarse-Graining Methods for Polymers....Pages 419-448
Drug-Target Binding Investigated by Quantum Mechanical/Molecular Mechanical (QM/MM) Methods....Pages 449-479
Redox Free Energies from Vertical Energy Gaps: Ab Initio Molecular Dynamics Implementation....Pages 481-506
Advanced Car–Parrinello Techniques: Path Integrals and Nonadiabaticity in Condensed Matter Simulations....Pages 507-539
Evolutionary Design in Biological Physics and Materials Science....Pages 541-562
Back Matter....Pages 595-599
Monte-Carlo Methods in Studies of Protein Folding and Evolution....Pages 563-593
....