Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1

Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1 edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder.

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 is an in-depth introduction to a vast spectrum of computational techniques for st...

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Bibliographic Details
Corporate Author: SpringerLink (Online service)
Other Authors: Ferrario, Mauro (Editor), Ciccotti, Giovanni (Editor), Binder, Kurt (Editor)
Format: eBook
Language:English
Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2006.
Edition:1st ed. 2006.
Series:Lecture Notes in Physics, 703
Springer eBook Collection.
Subjects:
Condensed matter.
Physics.
Materials science.
Statistical physics.
Dynamical systems.
Chemistry, Physical and theoretical.
Computer mathematics.
Electronic resources (E-books)
Online Access:Click to view e-book
Holy Cross Note:Loaded electronically.
Electronic access restricted to members of the Holy Cross Community.
Table of Contents:
  • Introduction: Condensed Matter Theory by Computer Simulation
  • Transition Path Sampling Methods
  • Sampling Kinetic Protein Folding Pathways using All-Atom Models
  • Calculation of Classical Trajectories with Boundary Value Formulation
  • Transition Path Theory
  • Multiscale Modelling in Molecular Dynamics: Biomolecular Conformations as Metastable States
  • Transport Coefficients of Quantum-Classical Systems
  • Linearized Path Integral Methods for Quantum Time Correlation Functions
  • Ensemble Optimization Techniques for Classical and Quantum Systems
  • The Coupled Electron-Ion Monte Carlo Method
  • Path Resummations and the Fermion Sign Problem
  • to Cluster Monte Carlo Algorithms
  • Generic Sampling Strategies for Monte Carlo Simulation of Phase Behaviour
  • Simulation Techniques for Calculating Free Energies
  • Waste-Recycling Monte Carlo
  • Equilibrium Statistical Mechanics, Non-Hamiltonian Molecular Dynamics, and Novel Applications from Resonance-Free Timesteps to Adiabatic Free Energy Dynamics
  • Simulating Charged Systems with ESPResSo
  • Density Functional Theory Based Ab Initio Molecular Dynamics Using the Car-Parrinello Approach
  • Large Scale Condensed Matter Calculations using the Gaussian and Augmented Plane Waves Method
  • Computing Free Energies and Accelerating Rare Events with Metadynamics.

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