Title:
Computer simulations in condensed matter systems : from materials to chemical biology
Series:
Lecture notes in physics, 703-704
Publication Information:
Berlin : Springer, 2006
Physical Description:
v.
ISBN:
9783540352709
Subject Term:
Available:*
Library | Item Barcode | Call Number | Material Type | Item Category 1 | Status |
---|---|---|---|---|---|
Searching... | 30000010129127 | QC173.457.C64 C65 2006 v.1 | Non Circulating - To Check | Book | Searching... |
Searching... | 30000010158877 | QC173.457.C64 C65 2006 v.2 | Open Access Book | Great Book | Searching... |
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Summary
Summary
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.
Table of Contents
Introduction: Condensed Matter Theory by Computer Simulation | p. 1 |
Introduction to Cluster Monte Carlo Algorithms | p. 13 |
Generic Sampling Strategies for Monte Carlo Simulation of Phase Behaviour | p. 39 |
Simulation Techniques for Calculating Free Energies | p. 67 |
Waste-Recycling Monte Carlo | p. 127 |
Equilibrium Statistical Mechanics, Non-Hamiltonian Molecular Dynamics, and Novel Applications from Resonance-Free Timesteps to Adiabatic Free Energy Dynamics | p. 139 |
Simulating Charged Systems with ESPResSo | p. 193 |
Density Functional Theory Based Ab Initio Molecular Dynamics Using the Car-Parrinello Approach | p. 223 |
Large Scale Condensed Matter Calculations using the Gaussian and Augmented Plane Waves Method | p. 287 |
Computing Free Energies and Accelerating Rare Events with Metadynamics | p. 315 |
Transition Path Sampling Methods | p. 349 |
Sampling Kinetic Protein Folding Pathways using All-Atom Models | p. 393 |
Calculation of Classical Trajectories with Boundary Value Formulation | p. 435 |
Transition Path Theory | p. 453 |
Multiscale Modelling in Molecular Dynamics: Biomolecular Conformations as Metastable States | p. 495 |
Transport Coefficients of Quantum-Classical Systems | p. 519 |
Linearized Path Integral Methods for Quantum Time Correlation Functions | p. 553 |
Ensemble Optimization Techniques for Classical and Quantum Systems | p. 591 |
The Coupled Electron-Ion Monte Carlo Method | p. 641 |
Path Resummations and the Fermion Sign Problem | p. 685 |
Index | p. 705 |