| OpenMM 8: molecular dynamics simulation with machine learning potentials P Eastman, R Galvelis, RP Peláez, CRA Abreu, SE Farr, E Gallicchio, ... The Journal of Physical Chemistry B 128 (1), 109-116, 2023 | 85 | 2023 |
| Treating Semiempirical Hamiltonians as Flexible Machine Learning Models Yields Accurate and Interpretable Results F Hu, F He, DJ Yaron Journal of Chemical Theory and Computation 19 (18), 6185-6196, 2023 | 8 | 2023 |
| Adaptive nonequilibrium design of actin-based metamaterials: Fundamental and practical limits of control S Chennakesavalu, SK Manikandan, F Hu, GM Rotskoff Proceedings of the National Academy of Sciences 121 (8), e2310238121, 2024 | 5 | 2024 |
| Accurate and efficient structure elucidation from routine one-dimensional NMR spectra using multitask machine learning F Hu, MS Chen, GM Rotskoff, MW Kanan, TE Markland ACS Central Science 10 (11), 2162-2170, 2024 | 3 | 2024 |
| Energy Rank Alignment: Using Preference Optimization to Search Chemical Space at Scale S Chennakesavalu, F Hu, S Ibarraran, GM Rotskoff arXiv preprint arXiv:2405.12961, 2024 | | 2024 |
| Adaptive nonequilibrium design of actin-based metamaterials: fundamental and practical limits of control S K Manikandan, S Chennakesavalu, G Rotskoff, F Hu Bulletin of the American Physical Society, 2024 | | 2024 |