Dylan Anstine
Assistant Professor
Department of Chemical Engineering and Materials Science, College of Engineering
Engineering Building, 428 S Shaw Ln, Room 1248
Biography
Dylan Anstine is an Assistant Professor in the Department of Chemical Engineering and Materials Science at Michigan State University. His current research interests focus on several areas at the interface of artificial intelligence and chemical science, including machine learned interatomic potentials, machine-human interfaces for chemical discovery, artificial intelligence in computer aided synthesis planning, and microporous materials for carbon capture. Prior to joining MSU, he earned his Ph.
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Ph.D., Materials Science and Engineering, University of Florida, 2021
Postdoctoral Research Fellow, Carnegie Mellon University (2021-2025)
Publications
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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