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Brian C. Barnes
Brian C. Barnes
DEVCOM ARL
Bestätigte E-Mail-Adresse bei army.mil
Titel
Zitiert von
Zitiert von
Jahr
Reaction coordinate of incipient methane clathrate hydrate nucleation
BC Barnes, BC Knott, GT Beckham, DT Wu, AK Sum
The Journal of Physical Chemistry B 118 (46), 13236-13243, 2014
942014
Advances in molecular simulations of clathrate hydrates
BC Barnes, AK Sum
Current Opinion in Chemical Engineering 2 (2), 184-190, 2013
742013
A coarse-grain force field for RDX: Density dependent and energy conserving
JD Moore, BC Barnes, S Izvekov, M Lísal, MS Sellers, DCE Taylor, ...
The Journal of Chemical Physics 144 (10), 2016
722016
Nucleation rate analysis of methane hydrate from molecular dynamics simulations
D Yuhara, BC Barnes, D Suh, BC Knott, GT Beckham, K Yasuoka, DT Wu, ...
Faraday discussions 179, 463-474, 2015
672015
Two-component order parameter for quantifying clathrate hydrate nucleation and growth
BC Barnes, GT Beckham, DT Wu, AK Sum
The Journal of chemical physics 140 (16), 2014
642014
Data augmentation and pretraining for template-based retrosynthetic prediction in computer-aided synthesis planning
ME Fortunato, CW Coley, BC Barnes, KF Jensen
Journal of chemical information and modeling 60 (7), 3398-3407, 2020
602020
Structure, thermodynamics, and solubility in tetromino fluids
BC Barnes, DW Siderius, LD Gelb
Langmuir 25 (12), 6702-6716, 2009
482009
Prediction of energetic material properties from electronic structure using 3D convolutional neural networks
AD Casey, SF Son, I Bilionis, BC Barnes
Journal of Chemical Information and Modeling 60 (10), 4457-4473, 2020
472020
Investigations of the 9, 10-diphenylacridyl radical as an isostructural dopant for the molecular semiconductor 9, 10-diphenylanthracene
TP Vaid, AK Lytton-Jean, BC Barnes
Chemistry of materials 15 (22), 4292-4299, 2003
442003
Accelerated scale-bridging through adaptive surrogate model evaluation
KW Leiter, BC Barnes, R Becker, J Knap
Journal of computational science 27, 91-106, 2018
312018
Machine learning of energetic material properties
BC Barnes, DC Elton, Z Boukouvalas, DCE Taylor, WD Mattson, MD Fuge, ...
arXiv preprint arXiv:1807.06156, 2018
262018
Molecular dynamics simulations of the formation of ethane clathrate hydrates
DT Wilson, BC Barnes, DT Wu, AK Sum
Fluid Phase Equilibria 413, 229-234, 2016
252016
Voronoi tessellation analysis of clathrate hydrates
SN Chakraborty, EM Grzelak, BC Barnes, DT Wu, AK Sum
The Journal of Physical Chemistry C 116 (37), 20040-20046, 2012
242012
Forging of hierarchical multiscale capabilities for simulation of energetic materials
BC Barnes, KW Leiter, JP Larentzos, JK Brennan
Propellants, Explosives, Pyrotechnics 45 (2), 177-195, 2020
192020
Building chemical property models for energetic materials from small datasets using a transfer learning approach
JL Lansford, BC Barnes, BM Rice, KF Jensen
Journal of Chemical Information and Modeling 62 (22), 5397-5410, 2022
182022
Observation of interstitial molecular hydrogen in clathrate hydrates
RG Grim, BC Barnes, PG Lafond, WA Kockelmann, DA Keen, AK Soper, ...
Angewandte Chemie International Edition 53 (40), 10710-10713, 2014
172014
LAMMPS integrated materials engine (LIME) for efficient automation of particle-based simulations: application to equation of state generation
BC Barnes, KW Leiter, R Becker, J Knap, JK Brennan
Modelling and Simulation in Materials Science and Engineering 25 (5), 055006, 2017
152017
Deep learning for energetic material detonation performance
BC Barnes
AIP Conference Proceedings 2272 (1), 2020
142020
Toward a predictive hierarchical multiscale modeling approach for energetic materials
BC Barnes, JK Brennan, EFC Byrd, S Izvekov, JP Larentzos, BM Rice
Computational Approaches for Chemistry Under Extreme Conditions, 229-282, 2019
132019
Locally Optimizable Joint Embedding Framework to Design Nitrogen‐rich Molecules that are Similar but Improved
S Balakrishnan, FG VanGessel, Z Boukouvalas, BC Barnes, MD Fuge, ...
Molecular Informatics 40 (7), 2100011, 2021
92021
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