Free Energy Calculations

Introduction: C. Chipot, M.S. Shell and A. Pohorille.- Calculating Free Energy Differences Using Perturbation Theory: C. Chipot and A. Pohorille.- Methods Based on Probability Distributions and Histograms: M.S. Shell and A. Panagiotopoulos.- Thermodynamic Integration Using Constrained and Unconstrained Dynmaics: E. Darve.- Nonequilibrium Methods for Equilibrium Free Energy Calculations: G. Hummer.- Understanding and Improving Free Energy Calculations in Molecular Simulations: Error Analysis and Reduction Methods: N. Lu and Th.B. Woolf.- Transition Path Sampling and the Calculation of Free Energies: C. Dellago.- Specialized Methods For Improving Ergodic Sampling Using Molecular Dynamics and Monte Carlo Simulations: I Andricioaei.- Potential Distribution Methods and Free Energy Models of Molecular Solutions: L.R. Pratt and D. Asthagiri.- Methods for Examining Phase Equilibria: A.Z. Panagiotopoulos and M. Scott Shell.- Quantum Contributions to Free Energy Changes in Fluids: Th.L. Beck.- Free Energy Calculations: Approximate Methos for Biological Macromolecules: T. Simonson.- Significant Applications of Free Energy Calculations to Chemistry and Biology: C. Chipot, V.S. Pande, A.E. Mark and T. Simonson.- Summary and Outlook: A. Pohorille and C. Chipot.Chipot, Christophe is the author of 'Free Energy Calculations', published 2007 under ISBN 9783540736172 and ISBN 3540736174.