Anatole von Lilienfeld

Anatole von Lilienfeld

First Name: 
Anatole
Last Name: 
von Lilienfeld
Title: 
Professor
Office Location : 
Myhal, Room 714, 55 St. George Street, Toronto, Ontario, M5S 0C9

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Anatole von Lilienfeld develops methods for a physics-based understanding of chemical compound space using machine learning, quantum and statistical mechanics, and high-performance computing. He is also interested in pseudopotentials, van der Waals forces, density functional theory, molecular dynamics, excited states, chemical reactions, and nuclear quantum effects. His research area include:

  • Chemical compound space
  • Quantum machine learning
  • Computational materials design and discovery
  • Experimental design
  • Chemical reactions
Other Website: 
Research Page: 
https://chemspacelab.chem.utoronto.ca/

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