| Advances in smart materials: Stimuli‐responsive hydrogel thin films EM White, J Yatvin, JB Grubbs III, JA Bilbrey, J Locklin Journal of Polymer Science Part B: Polymer Physics 51 (14), 1084-1099, 2013 | 191 | 2013 |
| Exact ligand cone angles JA Bilbrey, AH Kazez, J Locklin, WD Allen Journal of computational chemistry 34 (14), 1189-1197, 2013 | 184 | 2013 |
| Palladium‐mediated surface‐initiated Kumada catalyst polycondensation: a facile route towards oriented conjugated polymers NE Huddleston, SK Sontag, JA Bilbrey, GR Sheppard, J Locklin Macromolecular rapid communications 33 (24), 2115-2120, 2012 | 54 | 2012 |
| π-Complexation in nickel-catalyzed cross-coupling reactions SK Sontag, JA Bilbrey, NE Huddleston, GR Sheppard, WD Allen, J Locklin The Journal of Organic Chemistry 79 (4), 1836-1841, 2014 | 47 | 2014 |
| Tuning chelating groups and comonomers in spiropyran-containing copolymer thin films for color-specific metal ion binding KH Fries, GR Sheppard, JA Bilbrey, J Locklin Polymer Chemistry 5 (6), 2094-2102, 2014 | 44 | 2014 |
| Exact Ligand Solid Angles JA Bilbrey, AH Kazez, J Locklin, WD Allen Journal of Chemical Theory and Computation 9 (12), 5734-5744, 2013 | 39 | 2013 |
| Decoding the protein–ligand interactions using parallel graph neural networks C Knutson, M Bontha, JA Bilbrey, N Kumar Scientific reports 12 (1), 7624, 2022 | 37 | 2022 |
| On the role of disproportionation energy in Kumada catalyst-transfer polycondensation JA Bilbrey, SK Sontag, NE Huddleston, WD Allen, J Locklin ACS Macro Letters 1 (8), 995-1000, 2012 | 36 | 2012 |
| A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum … JA Bilbrey, JP Heindel, M Schram, P Bandyopadhyay, SS Xantheas, ... The Journal of Chemical Physics 153 (2), 2020 | 29 | 2020 |
| Ring-walking of zerovalent nickel on aryl halides JA Bilbrey, AN Bootsma, MA Bartlett, J Locklin, SE Wheeler, WD Allen Journal of chemical theory and computation 13 (4), 1706-1711, 2017 | 29 | 2017 |
| Co-design center for exascale machine learning technologies (exalearn) FJ Alexander, J Ang, JA Bilbrey, J Balewski, T Casey, R Chard, J Choi, ... The International Journal of High Performance Computing Applications 35 (6 …, 2021 | 19 | 2021 |
| BPA-free plastic containers may be just as hazardous J Bilbrey Scientific American 11, 2014 | 16 | 2014 |
| Degradable polycaprolactone and polylactide homopolymer and block copolymer brushes prepared by surface-initiated polymerization with triazabicyclodecene and zirconium catalysts JB Grubbs III, RM Arnold, A Roy, K Durie, JA Bilbrey, J Gao, J Locklin Langmuir 31 (37), 10183-10189, 2015 | 15 | 2015 |
| Rapid electrochemical reduction of Ni (II) generates reactive monolayers for conjugated polymer brushes in one step A Roy, J Gao, JA Bilbrey, NE Huddleston, J Locklin Langmuir 30 (34), 10465-10470, 2014 | 13 | 2014 |
| Ligand steric descriptors JA Bilbrey, WD Allen Annual Reports in Computational Chemistry 9, 3-23, 2013 | 10 | 2013 |
| Tracking the chemical evolution of iodine species using recurrent neural networks JA Bilbrey, CO Marrero, M Sassi, AM Ritzmann, NJ Henson, M Schram ACS omega 5 (9), 4588-4594, 2020 | 6 | 2020 |
| Kazez AH Locklin J. Allen WD J JA Bilbrey Comput. Chem 34, 1189-1197, 2013 | 6 | 2013 |
| Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units H Helal, J Firoz, JA Bilbrey, H Sprueill, KM Herman, MM Krell, T Murray, ... Journal of Chemical Information and Modeling 64 (5), 1568-1580, 2024 | 5 | 2024 |
| Benchmarking deep graph generative models for optimizing new drug molecules for covid-19 L Ward, JA Bilbrey, S Choudhury, N Kumar, G Sivaraman arXiv preprint arXiv:2102.04977, 2021 | 5 | 2021 |
| Active sampling for neural network potentials: Accelerated simulations of shear-induced deformation in Cu–Ni multilayers HW Sprueill, JA Bilbrey, Q Pang, PV Sushko The Journal of Chemical Physics 158 (11), 2023 | 4 | 2023 |