G. Ciccotti and K. Binder and M. FerrarioE. LuijtenN.B. WildingM. Muller and J.J. de PabloD. PrenkelJ.B. Abrams and M.E. Tuckerman and G.J. MartynaA. Arnold and B.A.F. Mann and Christian HolmR. VuilleumierJ. Vande Vondele and M. Iannuzzi and J. HutterA. Laio and M. ParrinelloC. Dellago and P. G. Bolhuis and P.L. GeisslerP.G. BolhuisR. ElberE. Vanden-EijndenE. Meerbach and E. Dittmer and I. Horenko and C. SchutteR. Kapral and G. CiccottiD.F. Coker and S. BonellaS. Trebst and M. TroyerC. Pierleoni and D.M. CeperleyA. Alavi and A.J.W. Thom

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