| Open catalyst 2020 (OC20) dataset and community challenges L Chanussot, A Das, S Goyal, T Lavril, M Shuaibi, M Riviere, K Tran, ... Acs Catalysis 11 (10), 6059-6072, 2021 | 591 | 2021 |
| Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ... Computational Materials Science 139, 140-152, 2017 | 380 | 2017 |
| Phosphorus reclamation through hydrothermal carbonization of animal manures SM Heilmann, JS Molde, JG Timler, BM Wood, AL Mikula, GV Vozhdayev, ... Environmental science & technology 48 (17), 10323-10329, 2014 | 257 | 2014 |
| Ion transport and the true transference number in nonaqueous polyelectrolyte solutions for lithium ion batteries KD Fong, J Self, KM Diederichsen, BM Wood, BD McCloskey, KA Persson ACS central science 5 (7), 1250-1260, 2019 | 190 | 2019 |
| The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts R Tran, J Lan, M Shuaibi, BM Wood, S Goyal, A Das, J Heras-Domingo, ... ACS Catalysis 13 (5), 3066-3084, 2023 | 161 | 2023 |
| Equiformerv2: Improved equivariant transformer for scaling to higher-degree representations YL Liao, B Wood, A Das, T Smidt arXiv preprint arXiv:2306.12059, 2023 | 129 | 2023 |
| Elucidating solvation structures for rational design of multivalent electrolytes—a review NN Rajput, TJ Seguin, BM Wood, X Qu, KA Persson Modeling Electrochemical Energy Storage at the Atomic Scale, 79-124, 2018 | 120 | 2018 |
| An introduction to electrocatalyst design using machine learning for renewable energy storage CL Zitnick, L Chanussot, A Das, S Goyal, J Heras-Domingo, C Ho, W Hu, ... arXiv preprint arXiv:2010.09435, 2020 | 96 | 2020 |
| Conformational entropy as a means to control the behavior of poly (diketoenamine) vitrimers in and out of equilibrium C He, PR Christensen, TJ Seguin, EA Dailing, BM Wood, RK Walde, ... Angewandte Chemie International Edition 59 (2), 735-739, 2020 | 92 | 2020 |
| Spherical channels for modeling atomic interactions L Zitnick, A Das, A Kolluru, J Lan, M Shuaibi, A Sriram, Z Ulissi, B Wood Advances in Neural Information Processing Systems 35, 8054-8067, 2022 | 65 | 2022 |
| The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF6 and LiAsF6 in Dimethyl Carbonate J Self, BM Wood, NN Rajput, KA Persson The Journal of Physical Chemistry C 122 (4), 1990-1994, 2018 | 57 | 2018 |
| Industrial symbiosis: Corn ethanol fermentation, hydrothermal carbonization, and anaerobic digestion BM Wood, LR Jader, FJ Schendel, NJ Hahn, KJ Valentas, PJ McNamara, ... Biotechnology and bioengineering 110 (10), 2624-2632, 2013 | 49 | 2013 |
| Open challenges in developing generalizable large-scale machine-learning models for catalyst discovery A Kolluru, M Shuaibi, A Palizhati, N Shoghi, A Das, B Wood, CL Zitnick, ... ACS Catalysis 12 (14), 8572-8581, 2022 | 48 | 2022 |
| Quantum chemical calculations of lithium-ion battery electrolyte and interphase species EWC Spotte-Smith, SM Blau, X Xie, HD Patel, M Wen, B Wood, ... Scientific Data 8 (1), 203, 2021 | 40 | 2021 |
| AdsorbML: a leap in efficiency for adsorption energy calculations using generalizable machine learning potentials J Lan, A Palizhati, M Shuaibi, BM Wood, B Wander, A Das, M Uyttendaele, ... npj Computational Materials 9 (1), 172, 2023 | 39 | 2023 |
| Towards training billion parameter graph neural networks for atomic simulations A Sriram, A Das, BM Wood, S Goyal, CL Zitnick arXiv preprint arXiv:2203.09697, 2022 | 32 | 2022 |
| Response of maize germination and growth to hydrothermal carbonization filtrate type and amount GV Vozhdayev, KA Spokas, JS Molde, SM Heilmann, BM Wood, ... Plant and Soil 396, 127-136, 2015 | 32 | 2015 |
| From molecules to materials: Pre-training large generalizable models for atomic property prediction N Shoghi, A Kolluru, JR Kitchin, ZW Ulissi, CL Zitnick, BM Wood arXiv preprint arXiv:2310.16802, 2023 | 29 | 2023 |
| Open materials 2024 (omat24) inorganic materials dataset and models L Barroso-Luque, M Shuaibi, X Fu, BM Wood, M Dzamba, M Gao, A Rizvi, ... arXiv preprint arXiv:2410.12771, 2024 | 19 | 2024 |
| Aromaticity as a guide to planarity in conjugated molecules and polymers BM Wood, AC Forse, KA Persson The Journal of Physical Chemistry C 124 (10), 5608-5612, 2020 | 17 | 2020 |