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Brian C. Barnes

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Journal Articles

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2023
[j5]
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  - journals/jcphy/LeiterLBBBK23
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  - https://dblp.org/rec/journals/jcphy/LeiterLBBBK23
Kenneth W. Leiter, James P. Larentzos, Brian C. Barnes, John K. Brennan, Richard Becker, Jaroslaw Knap:
Temporal scale-bridging of chemistry in a multiscale model: Application to reactivity of an energetic material. J. Comput. Phys. 472: 111682 (2023)
2022
[j4]
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Joshua L. Lansford, Brian C. Barnes, Betsy M. Rice, Klavs F. Jensen:
Building Chemical Property Models for Energetic Materials from Small Datasets Using a Transfer Learning Approach. J. Chem. Inf. Model. 62(22): 5397-5410 (2022)
2020
[j3]
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  - journals/jcisd/FortunatoCBJ20
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Michael E. Fortunato, Connor W. Coley, Brian C. Barnes, Klavs F. Jensen:
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning. J. Chem. Inf. Model. 60(7): 3398-3407 (2020)
[j2]
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  - journals/jcisd/CaseySBB20
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Alex D. Casey, Steven F. Son, Ilias Bilionis, Brian C. Barnes:
Prediction of Energetic Material Properties from Electronic Structure Using 3D Convolutional Neural Networks. J. Chem. Inf. Model. 60(10): 4457-4473 (2020)
2018
[j1]
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Kenneth W. Leiter, Brian C. Barnes, Richard Becker, Jaroslaw Knap:
Accelerated scale-bridging through adaptive surrogate model evaluation. J. Comput. Sci. 27: 91-106 (2018)

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