Beschreibung
InhaltsangabeIntroduction: 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. Schütte.- 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
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