| Roadmap on machine learning in electronic structure HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ... Electronic Structure 4 (2), 023004, 2022 | 117 | 2022 |
| Learning to approximate density functionals B Kalita, L Li, RJ McCarty, K Burke Accounts of Chemical Research 54 (4), 818-826, 2021 | 73 | 2021 |
| Machine learning and density functional theory R Pederson, B Kalita, K Burke Nature Reviews Physics 4 (6), 357-358, 2022 | 64 | 2022 |
| Dual delivery of chloramphenicol and essential oil by poly-ε-caprolactone–Pluronic nanocapsules to treat MRSA-Candida co-infected chronic burn wounds S Kalita, R Kandimalla, B Devi, B Kalita, K Kalita, M Deka, AC Kataki, ... RSC advances 7 (3), 1749-1758, 2017 | 36 | 2017 |
| Protective Effect of Bioactivity Guided Fractions of Ziziphus jujuba Mill. Root Bark against Hepatic Injury and Chronic Inflammation via Inhibiting Inflammatory … R Kandimalla, S Dash, S Kalita, B Choudhury, S Malampati, K Kalita, ... Frontiers in pharmacology 7, 298, 2016 | 36 | 2016 |
| 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 | 11 | 2023 |
| 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 |
| De novo molecule design towards biased properties via a deep generative framework and iterative transfer learning K Sattari, D Li, B Kalita, Y Xie, FB Lighvan, O Isayev, J Lin Digital Discovery 3 (2), 410-421, 2024 | | 2024 |
| De Novo Design of Molecules Towards Biased Properties via a Deep Generative Framework and Iterative Transfer Learning K Sattari, D Li, Y Xie, O Isayev, J Lin | | 2023 |
| Using Machine Learning to Construct and Categorize Density Functionals B Kalita University of California, Irvine, 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 |
| 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 |
| Using Machine Learning to Find New Density Functionals B Kalita, K Burke arXiv preprint arXiv:2112.05554, 2021 | | 2021 |
| 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 |
| Density Functionals for Many-Particle Systems Mathematical Theory and Physical Applications of Effective Equations S Crisostomo, R Pederson, J Kozlowski, B Kalita, AC Cancio | | |
Kieron BurkeUC Irvine chemistry and physics在 uci.edu 的电子邮件经过验证
