Bridging Time Scales: Molecular Simulations for the Next Decade

Sidechain Dynamics and Protein Folding....Pages 3-24
A Coarse Grain Model for Lipid Monolayer and Bilayer Studies....Pages 27-63
Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Systems....Pages 67-127
Bridging the Time Scale Gap: How Does Foldable Polymer Navigate Its Conformation Space?....Pages 129-142
Multiscale Computer Simulations for Polymeric Materials in Bulk and Near Surfaces....Pages 143-164
Effective Interactions for Large-Scale Simulations of Complex Fluids....Pages 167-196
Simulation of Models for the Glass Transition: Is There Progress?....Pages 199-228
Monte Carlo Methods for Bridging the Timescale Gap....Pages 231-266
Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamics....Pages 267-285
Atomistic Simulations of Solid Friction....Pages 289-317
Bridging the Time Scale Gap with Transition Path Sampling....Pages 321-333
The Stochastic Difference Equation as a Tool to Compute Long Time Dynamics....Pages 335-365
Numerical Simulations of Molecular Systems with Long Range Interactions....Pages 367-378
New Developments in Plane-Wave Based ab initio Calculations....Pages 381-411
Time and Length Scales in ab initio Molecular Dynamics....Pages 413-442
A Statistical Mechanical Theory of Quantum Dynamics in Classical Environments....Pages 445-472
The Coupled Electronic-Ionic Monte Carlo Simulation Method....Pages 473-500