Replica exchange with nonequilibrium switches: Enhancing equilibrium sampling by increasing replica overlap

Escorted free energy simulations

(2011) Suriyanarayanan Vaikuntanathan et al.   JOURNAL OF CHEMICAL PHYSICS

Improving Sampling by Exchanging Hamiltonians with Efficiently Configured Nonequilibrium Simulations

(2011) Robert M. Dirks et al.   Journal of Chemical Theory and Computation

Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation

(2011) J. P. Nilmeier et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Good Practices in Free-Energy Calculations

(2010) Andrew Pohorille et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Optimum protocol for fast-switching free-energy calculations

(2010) Philipp Geiger et al.   PHYSICAL REVIEW E

Monte Carlo Sampling with Hierarchical Move Sets: POSH Monte Carlo

(2009) Jerome Nilmeier et al.   Journal of Chemical Theory and Computation

Accelerating molecular dynamic simulation on graphics processing units

(2009) Mark S. Friedrichs et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Replica exchange with nonequilibrium switches

(2009) A. J. Ballard et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Escorted Free Energy Simulations: Improving Convergence by Reducing Dissipation

(2008) Suriyanarayanan Vaikuntanathan et al.   PHYSICAL REVIEW LETTERS