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Nicholas Lubbers
Nicholas Lubbers
Staff Scientist, Computer, Computational, and Statistical Sciences Division, LANL
Verified email at bu.edu
Title
Cited by
Cited by
Year
The effective field theory of dark matter direct detection
AL Fitzpatrick, W Haxton, E Katz, N Lubbers, Y Xu
Journal of Cosmology and Astroparticle Physics 2013 (02), 004, 2013
6702013
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), 2018
6232018
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
5812019
Machine learning predicts laboratory earthquakes
B Rouet‐Leduc, C Hulbert, N Lubbers, K Barros, CJ Humphreys, ...
Geophysical Research Letters 44 (18), 9276-9282, 2017
4002017
Hierarchical modeling of molecular energies using a deep neural network
N Lubbers, JS Smith, K Barros
The Journal of chemical physics 148 (24), 2018
3012018
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
1672020
Inferring low-dimensional microstructure representations using convolutional neural networks
N Lubbers, T Lookman, K Barros
Physical Review E 96 (5), 052111, 2017
1332017
Embedding hard physical constraints in neural network coarse-graining of three-dimensional turbulence
AT Mohan, N Lubbers, M Chertkov, D Livescu
Physical Review Fluids 8 (1), 014604, 2023
121*2023
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
1182018
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
1062018
Model independent direct detection analyses
AL Fitzpatrick, W Haxton, E Katz, N Lubbers, Y Xu
arXiv preprint arXiv:1211.2818, 2012
892012
Computationally efficient multiscale neural networks applied to fluid flow in complex 3D porous media
JE Santos, Y Yin, H Jo, W Pan, Q Kang, HS Viswanathan, M Prodanović, ...
Transport in porous media 140 (1), 241-272, 2021
692021
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
672021
Extending machine learning beyond interatomic potentials for predicting molecular properties
N Fedik, R Zubatyuk, M Kulichenko, N Lubbers, JS Smith, B Nebgen, ...
Nature Reviews Chemistry 6 (9), 653-672, 2022
552022
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
512021
Earthquake Catalog‐Based Machine Learning Identification of Laboratory Fault States and the Effects of Magnitude of Completeness
N Lubbers, DC Bolton, J Mohd‐Yusof, C Marone, K Barros, PA Johnson
Geophysical Research Letters 45 (24), 13,269-13,276, 2018
462018
Machine learned Hückel 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), 2021
402021
Modeling nanoconfinement effects using active learning
JE Santos, M Mehana, H Wu, M Prodanovic, Q Kang, N Lubbers, ...
The Journal of Physical Chemistry C 124 (40), 22200-22211, 2020
392020
Machine learning for molecular dynamics with strongly correlated electrons
H Suwa, JS Smith, N Lubbers, CD Batista, GW Chern, K Barros
Physical Review B 99 (16), 161107, 2019
332019
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
312020
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Articles 1–20