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Anatole von Lilienfeld is a Professor in the Department of Chemistry at the University of Toronto. His research focuses on the development of physics-based methods for understanding chemical compound space. He utilizes machine learning techniques, quantum statistical mechanics, and high-performance computing to explore a variety of topics including pseudopotentials, van der Waals forces, density functional theory, and molecular dynamics. His work encompasses the study of excited states, chemical reactions, and nuclear quantum effects, contributing to the fields of chemical compound space and quantum machine learning. Additionally, he is involved in computational materials design and experimental design, making significant strides in chemical reaction discovery.
Department of Sociology