| Assessment of chemistry knowledge in large language models that generate code AD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ... Digital Discovery 2 (2), 368-376, 2023 | 126 | 2023 |
| Agent-based learning of materials datasets from the scientific literature M Ansari, SM Moosavi Digital Discovery 3 (12), 2607-2617, 2024 | 49 | 2024 |
| Serverless prediction of peptide properties with recurrent neural networks M Ansari, AD White Journal of Chemical Information and Modeling 63 (8), 2546-2553, 2023 | 44 | 2023 |
| Iterative symbolic regression for learning transport equations M Ansari, HA Gandhi, DG Foster, AD White AIChE Journal 68 (6), e17695, 2022 | 23 | 2022 |
| dziner: Rational inverse design of materials with ai agents M Ansari, J Watchorn, CE Brown, JS Brown arXiv preprint arXiv:2410.03963, 2024 | 16 | 2024 |
| Learning peptide properties with positive examples only M Ansari, AD White Digital Discovery 3 (5), 977-986, 2024 | 14 | 2024 |
| examples of llm applications in materials science and chemistry: Towards automation, assistants, agents, and accelerated scientific discovery Y Zimmermann, A Bazgir, A Al-Feghali, M Ansari, J Bocarsly, LC Brinson, ... arXiv preprint arXiv:2505.03049 1, 2025 | 12 | 2025 |
| Reflections from the 2024 large language model (llm) hackathon for applications in materials science and chemistry Y Zimmermann, A Bazgir, Z Afzal, F Agbere, Q Ai, N Alampara, ... arXiv preprint arXiv:2411.15221, 2024 | 12 | 2024 |
| 34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery Y Zimmermann, A Bazgir, A Al-Feghali, M Ansari, J Bocarsly, LC Brinson, ... arXiv preprint arXiv:2505.03049, 2025 | 10 | 2025 |
| Do large language models know chemistry? AD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ... | 10 | 2022 |
| Inferring spatial source of disease outbreaks using maximum entropy M Ansari, D Soriano-Panos, G Ghoshal, AD White Physical Review E 106 (1), 014306, 2022 | 10 | 2022 |
| History-agnostic battery degradation inference M Ansari, SB Torrisi, A Trewartha, S Sun Journal of Energy Storage 81, 110279, 2024 | 9 | 2024 |
| Agent-based learning of materials datasets from scientific literature, arXiv, 2023 M Ansari, SM Moosavi arXiv preprint arXiv:2312.11690 10, 0 | 7 | |
| Simulation-based inference with approximately correct parameters via maximum entropy R Barrett, M Ansari, G Ghoshal, AD White Machine Learning: Science and Technology 3 (2), 025006, 2022 | 5 | 2022 |
| Bayesian optimization hackathon for chemistry and materials S Baird, M Ansari, Z Afzal, Q Ai, A Al-Feghali, M Alain, M Altamirano, ... | 1 | 2025 |
| Kernel learning assisted synthesis condition exploration for ternary spinel Y Liu, M Ansari, R Black, J Hattrick-Simpers Communications Materials 6 (1), 145, 2025 | | 2025 |
| History-agnostic battery degradation inference M Ansari, S Sun, SBJ Torrisi, AE Trewartha US Patent App. 18/121,171, 2024 | | 2024 |
| Serverless Prediction of Peptide Properties M Ansari, AD White Applications of Physics-informed Machine Learning in Chemical Engineering, 71, 2023 | | 2023 |
| Maximum Entropy Epidemiology M Ansari, D Soriano-Paños, G Ghoshal, AD White Applications of Physics-informed Machine Learning in Chemical Engineering, 39, 2023 | | 2023 |
| Applications of Physics-Informed Machine Learning in Chemical Engineering M Ansari University of Rochester, 2023 | | 2023 |
Andrew D. WhiteFutureHouse, Edison Scientific, University of RochesterVerified email at rochester.edu
