Dylan Anstine
Assistant Professor
Department of Chemical Engineering and Materials Science, College of Engineering
Engineering Building, 428 S Shaw Ln, Room 1248
Biography
Machine learned interatomic potentials, artificial intelligence in chemistry, high-throughput molecular modeling, reaction prediction, microporous polymers, adsorption and separation science.
Education
Ph.D., Materials Science and Engineering, University of Florida, 2021
Awards
Anstine, D. M., Zhao, Q., Zubatyuk, R., Zhang, S., Singla, V., Nikitin, F., Savoie, B. M., Isayev, O., AIMNet2-rxn: A Machine Learned Potential for Generalized Reaction Modeling on a Millions-of-Pathways Scale, preprint, https://doi.org/10.26434/chemrxiv-2025-hpdmg
Rapp, J., Anstine, D. M., Gusev, F., Nikitin, F., Yun, K., Borden, M., Bhat, V., Isayev, O., Leibfarth, F., Design of Tough 3D Printable Elastomers with Human-in-the-Loop Reinforcement Learning, Angewandte Chemie, e202513147 https://doi.org/10.1002/ange.202513147
Anstine, D. M., Zubatyuk, R., Gallegos, L., Paton, R., Weist, O., Nebgen B., Jones, T., Gomes, G., Tretiak, S., Isayev, O., Transferable Machine Learning Interatomic Potential for Pd-Catalyzed Cross-Coupling Reactions, preprint, https://doi.org/10.26434/chemrxiv-2025-n36r6
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