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Proceedings. Mathematical, Physical, and Engineering Sciences|June 10, 2016
Efficient molecular dynamics using geodesic integration and solvent-solute splittingBenedict Leimkuhler, Charles Matthews
The Journal of Chemical Physics|May 10, 2013
Robust and efficient configurational molecular sampling via Langevin dynamicsBenedict Leimkuhler, Charles Matthews
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 7, 2010
Generalized Bulgac-Kusnezov methods for sampling of the Gibbs-Boltzmann measureBenedict Leimkuhler
Soft Matter|November 4, 2017
Assessing numerical methods for molecular and particle simulationXiaocheng Shang, Martin Kröger, Benedict Leimkuhler
Proceedings. Mathematical, Physical, and Engineering Sciences|March 8, 2017
Observation-based correction of dynamical models using thermostatsKeith W Myerscough, Jason Frank, Benedict Leimkuhler
Journal of Chemical Theory and Computation|December 1, 2015
A Stochastic Algorithm for the Isobaric-Isothermal Ensemble with Ewald Summations for All Long Range ForcesMichele Di Pierro, Ron Elber, Benedict Leimkuhler
Physical Review. E|March 19, 2021
Two-dimensional mobile breather scattering in a hexagonal crystal latticeJānis Bajārs, J Chris Eilbeck, Benedict Leimkuhler
Entropy (Basel, Switzerland)|November 6, 2018
Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular SystemsJosh Fass, David A Sivak, Gavin E Crooks, et al.
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