Accelerated scale-bridging through adaptive surrogate model evaluation. - Kenneth W. Leiter; Brian C. Barnes; Richard Becker; Jaroslaw Knap (J. Comput. Sci., 2018)

Prediction of Energetic Material Properties from Electronic Structure Using 3D Convolutional Neural Networks. - Alex D. Casey; Steven F. Son; Ilias Bilionis; Brian C. Barnes (J. Chem. Inf. Model., 2020)

Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning. - Michael E. Fortunato; Connor W. Coley; Brian C. Barnes; Klavs F. Jensen (J. Chem. Inf. Model., 2020)

Building Chemical Property Models for Energetic Materials from Small Datasets Using a Transfer Learning Approach. - Joshua L. Lansford; Brian C. Barnes; Betsy M. Rice; Klavs F. Jensen (J. Chem. Inf. Model., 2022)

Temporal scale-bridging of chemistry in a multiscale model: Application to reactivity of an energetic material. - Kenneth W. Leiter; James P. Larentzos; Brian C. Barnes; John K. Brennan; Richard Becker; Jaroslaw Knap (J. Comput. Phys., 2023)

Multi-Task Multi-Fidelity Learning of Properties for Energetic Materials. - Robert J. Appleton; Daniel Klinger; Brian H. Lee; Michael Taylor; Sohee Kim; Samuel Blankenship; Brian C. Barnes; Steven F. Son; Alejandro Strachan (CoRR, 2024)

Data Fusion of Deep Learned Molecular Embeddings for Property Prediction. - Robert J. Appleton; Brian C. Barnes; Alejandro Strachan (CoRR, 2025)