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Benjamin T Nebgen

Showing results (1-10 of 9) with videos related to

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Journal of the American Chemical Society|December 15, 2010
Dynamics of a myoglobin mutant enzyme: 2D IR vibrational echo experiments and simulationsSayan Bagchi, Benjamin T Nebgen, Roger F Loring, et al.
Nature Communications|August 12, 2021
Teaching a neural network to attach and detach electrons from moleculesRoman Zubatyuk, Justin S Smith, Benjamin T Nebgen, et al.
Nature Communications|July 3, 2019
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learningJustin S Smith, Benjamin T Nebgen, Roman Zubatyuk, et al.
The Journal of Physical Chemistry Letters|July 25, 2018
Discovering a Transferable Charge Assignment Model Using Machine LearningAndrew E Sifain, Nicholas Lubbers, Benjamin T Nebgen, et al.
Journal of Chemical Information and Modeling|January 28, 2025
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data AugmentationLuan G F Dos Santos, Benjamin T Nebgen, Alice E A Allen, et al.
Journal of Chemical Theory and Computation|March 14, 2025
Shadow Molecular Dynamics with a Machine Learned Flexible Charge PotentialCheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, et al.
Faraday Discussions|September 29, 2017
Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquidsBenjamin T Nebgen, Harsha D Magurudeniya, Kevin W C Kwock, et al.
Nature Chemistry|March 7, 2024
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potentialShuhao Zhang, Małgorzata Z Makoś, Ryan B Jadrich, et al.
Journal of Chemical Theory and Computation|June 7, 2018
Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD SoftwareAndrew E Sifain, Josiah A Bjorgaard, Tammie R Nelson, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Journal of the American Chemical Society|December 15, 2010
Dynamics of a myoglobin mutant enzyme: 2D IR vibrational echo experiments and simulationsSayan Bagchi, Benjamin T Nebgen, Roger F Loring, et al.
Nature Communications|August 12, 2021
Teaching a neural network to attach and detach electrons from moleculesRoman Zubatyuk, Justin S Smith, Benjamin T Nebgen, et al.
Nature Communications|July 3, 2019
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learningJustin S Smith, Benjamin T Nebgen, Roman Zubatyuk, et al.
The Journal of Physical Chemistry Letters|July 25, 2018
Discovering a Transferable Charge Assignment Model Using Machine LearningAndrew E Sifain, Nicholas Lubbers, Benjamin T Nebgen, et al.
Journal of Chemical Information and Modeling|January 28, 2025
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data AugmentationLuan G F Dos Santos, Benjamin T Nebgen, Alice E A Allen, et al.
Journal of Chemical Theory and Computation|March 14, 2025
Shadow Molecular Dynamics with a Machine Learned Flexible Charge PotentialCheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, et al.
Faraday Discussions|September 29, 2017
Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquidsBenjamin T Nebgen, Harsha D Magurudeniya, Kevin W C Kwock, et al.
Nature Chemistry|March 7, 2024
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potentialShuhao Zhang, Małgorzata Z Makoś, Ryan B Jadrich, et al.
Journal of Chemical Theory and Computation|June 7, 2018
Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD SoftwareAndrew E Sifain, Josiah A Bjorgaard, Tammie R Nelson, et al.
Pageof 1