Benjamin Nebgen
Benjamin Nebgen
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Cited by
Cited by
Less is more: Sampling chemical space with active learning
JS Smith, B Nebgen, N Lubbers, O Isayev, AE Roitberg
The Journal of chemical physics 148 (24), 241733, 2018
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning
JS Smith, BT Nebgen, R Zubatyuk, N Lubbers, C Devereux, K Barros, ...
Nature communications 10 (1), 2903, 2019
Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
TR Nelson, AJ White, JA Bjorgaard, AE Sifain, Y Zhang, B Nebgen, ...
Chemical reviews 120 (4), 2215-2287, 2020
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules
JS Smith, R Zubatyuk, B Nebgen, N Lubbers, K Barros, AE Roitberg, ...
Scientific data 7 (1), 134, 2020
Discovering a transferable charge assignment model using machine learning
AE Sifain, N Lubbers, BT Nebgen, JS Smith, AY Lokhov, O Isayev, ...
The journal of physical chemistry letters 9 (16), 4495-4501, 2018
Transferable dynamic molecular charge assignment using deep neural networks
B Nebgen, N Lubbers, JS Smith, AE Sifain, A Lokhov, O Isayev, ...
Journal of chemical theory and computation 14 (9), 4687-4698, 2018
Dynamics of a myoglobin mutant enzyme: 2D IR vibrational echo experiments and simulations
S Bagchi, BT Nebgen, RF Loring, MD Fayer
Journal of the American Chemical Society 132 (51), 18367-18376, 2010
NEXMD software package for nonadiabatic excited state molecular dynamics simulations
W Malone, B Nebgen, A White, Y Zhang, H Song, JA Bjorgaard, AE Sifain, ...
Journal of Chemical Theory and Computation 16 (9), 5771-5783, 2020
Photoexcited nonadiabatic dynamics of solvated push–pull π-conjugated oligomers with the NEXMD software
AE Sifain, JA Bjorgaard, TR Nelson, BT Nebgen, AJ White, BJ Gifford, ...
Journal of chemical theory and computation 14 (8), 3955-3966, 2018
Teaching a neural network to attach and detach electrons from molecules
R Zubatyuk, JS Smith, BT Nebgen, S Tretiak, O Isayev
Nature Communications 12 (1), 4870, 2021
Automated discovery of a robust interatomic potential for aluminum
JS Smith, B Nebgen, N Mathew, J Chen, N Lubbers, L Burakovsky, ...
Nature communications 12 (1), 1257, 2021
The mystery of perpendicular fivefold axes and the fourth dimension in intermetallic structures
RF Berger, S Lee, J Johnson, B Nebgen, F Sha, J Xu
Chemistry–A European Journal 14 (13), 3908-3930, 2008
Vibronic coupling in asymmetric bichromophores: Theory and application to diphenylmethane
B Nebgen, FL Emmert III, LV Slipchenko
The Journal of Chemical Physics 137 (8), 084112, 2012
Laves Phases, γ‐Brass, and 2󫎾 Superstructures: A New Class of Quasicrystal Approximants and the Suggestion of a New Quasicrystal
RF Berger, S Lee, J Johnson, B Nebgen, ACY So
Chemistry–A European Journal 14 (22), 6627-6639, 2008
Machine learned H點kel theory: Interfacing physics and deep neural networks
T Zubatiuk, B Nebgen, N Lubbers, JS Smith, R Zubatyuk, G Zhou, C Koh, ...
The Journal of Chemical Physics 154 (24), 244108, 2021
The rise of neural networks for materials and chemical dynamics
M Kulichenko, JS Smith, B Nebgen, YW Li, N Fedik, AI Boldyrev, ...
The Journal of Physical Chemistry Letters 12 (26), 6227-6243, 2021
Jet-Cooled Spectroscopy of the α-Methylbenzyl Radical: Probing the State-Dependent Effects of Methyl Rocking Against a Radical Site
NM Kidwell, NJ Reilly, B Nebgen, DN Mehta-Hurt, RD Hoehn, DL Kokkin, ...
The Journal of Physical Chemistry A 117 (50), 13465-13480, 2013
Graphics processing unit-accelerated semiempirical Born Oppenheimer molecular dynamics using PyTorch
G Zhou, B Nebgen, N Lubbers, W Malone, AMN Niklasson, S Tretiak
Journal of Chemical Theory and Computation 16 (8), 4951-4962, 2020
Fragment molecular orbital nonadiabatic molecular dynamics for condensed phase systems
B Nebgen, OV Prezhdo
The Journal of Physical Chemistry A 120 (36), 7205-7212, 2016
A neural network for determination of latent dimensionality in non-negative matrix factorization
BT Nebgen, R Vangara, MA Hombrados-Herrera, S Kuksova, ...
Machine Learning: Science and Technology 2 (2), 025012, 2021
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