| Kohn-Sham equations as regularizer: Building prior knowledge into machine-learned physics L Li, S Hoyer, R Pederson, R Sun, ED Cubuk, P Riley, K Burke Physical review letters 126 (3), 036401, 2021 | 180 | 2021 |
| Machine learning and density functional theory R Pederson, B Kalita, K Burke Nature Reviews Physics 4 (6), 357-358, 2022 | 90 | 2022 |
| Multireference ab initio studies of magnetic properties of terbium-based single-molecule magnets R Pederson, AL Wysocki, N Mayhall, K Park The Journal of Physical Chemistry A 123 (32), 6996-7006, 2019 | 26 | 2019 |
| Large scale quantum chemistry with tensor processing units R Pederson, J Kozlowski, R Song, J Beall, M Ganahl, M Hauru, ... Journal of Chemical Theory and Computation 19 (1), 25-32, 2022 | 25 | 2022 |
| Bypassing the energy functional in density functional theory: direct calculation of electronic energies from conditional probability densities RJ McCarty, D Perchak, R Pederson, R Evans, Y Qiu, SR White, K Burke Physical Review Letters 125 (26), 266401, 2020 | 16 | 2020 |
| Coati: Multimodal contrastive pretraining for representing and traversing chemical space B Kaufman, EC Williams, C Underkoffler, R Pederson, N Mardirossian, ... Journal of Chemical Information and Modeling 64 (4), 1145-1157, 2024 | 14 | 2024 |
| Seven useful questions in density functional theory S Crisostomo, R Pederson, J Kozlowski, B Kalita, AC Cancio, K Datchev, ... Letters in Mathematical Physics 113 (2), 42, 2023 | 14 | 2023 |
| The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory R Pederson, K Burke The Journal of Chemical Physics 159 (21), 2023 | 11 | 2023 |
| Conditional probability density functional theory R Pederson, J Chen, SR White, K Burke Phys. Rev. B 105 (24), 245138, 2022 | 11 | 2022 |
| How well does Kohn–Sham regularizer work for weakly correlated systems? B Kalita, R Pederson, J Chen, L Li, K Burke The Journal of Physical Chemistry Letters 13 (11), 2540-2547, 2022 | 10 | 2022 |
| Tensor processing units as quantum chemistry supercomputers R Pederson, J Kozlowski, R Song, J Beall, M Ganahl, M Hauru, ... Preprint at https://arxiv. org/abs/2202.01255, 2022 | 6 | 2022 |
| Attractor stability in finite asynchronous biological system models HS Mortveit, RD Pederson Bulletin of Mathematical Biology 81, 1442-1460, 2019 | 3 | 2019 |
| Lipschitz continuity under toric equivalence for asynchronous Boolean networks RXF Chen, JA McNitt, HS Mortveit, RD Pederson, CM Reidys Chaos: An Interdisciplinary Journal of Nonlinear Science 33 (2), 2023 | 2 | 2023 |
| Reassessing the role of exact conditions in density functional theory R Pederson, K Burke APS March Meeting Abstracts 2023, B17. 010, 2023 | 1 | 2023 |
| Accelerating Strongly Correlated Electronic Structure Calculations Using Real-Space Renormalization Group Techniques and Density Functional Theory J McCord, R Pederson, K Burke, S White Bulletin of the American Physical Society, 2024 | | 2024 |
| Latent Diffusion For Conditional Generation of Molecules B Kaufman, EC Williams, R Pederson, C Underkoffler, Z Panjwani, ... bioRxiv, 2024.08. 22.609169, 2024 | | 2024 |
| Developing Density Functional Theory with Physical Prior Knowledge R Pederson University of California, Irvine, 2023 | | 2023 |
| Kohn-Sham regularizer in the bond-dissociation limit B Kalita, R Pederson, L Li, K Burke APS March Meeting Abstracts 2022, G01. 007, 2022 | | 2022 |
| Generalizable machine-learned density functionals using a spin-adapted Kohn-Sham regularizer R Pederson, B Kalita, L Li, K Burke APS March Meeting Abstracts 2022, G01. 006, 2022 | | 2022 |
| Generalizability of density functionals learned from differentiable programming on weakly correlated spin-polarized systems. B Kalita, R Pederson, L Li, K Burke CoRR, 2021 | | 2021 |
Kieron BurkeUC Irvine chemistry and physicsEmail verificata su uci.edu