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Journal of Chemical Theory and Computation
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February 15, 2017
Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions
Eric C Dybeck, Craig P Plaisance, Matthew Neurock
Journal of Chemical Theory and Computation
|
June 25, 2016
Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials
Eric C Dybeck, Natalie P Schieber, Michael R Shirts
The Journal of Chemical Physics
|
April 16, 2018
Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams
Natalie P Schieber, Eric C Dybeck, Michael R Shirts
Journal of Chemical Theory and Computation
|
March 2, 2016
Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials
Eric C Dybeck, Gerhard König, Bernard R Brooks, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
February 15, 2017
Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions
Eric C Dybeck, Craig P Plaisance, Matthew Neurock
Journal of Chemical Theory and Computation
|
June 25, 2016
Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials
Eric C Dybeck, Natalie P Schieber, Michael R Shirts
The Journal of Chemical Physics
|
April 16, 2018
Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams
Natalie P Schieber, Eric C Dybeck, Michael R Shirts
Journal of Chemical Theory and Computation
|
March 2, 2016
Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials
Eric C Dybeck, Gerhard König, Bernard R Brooks, et al.
Page
of 1