Professor
Myhal, Room 714, 55 St. George Street, Toronto, Ontario, M5S 0C9
Campus
- Downtown Toronto (St. George)
Fields of Study
- Chemical Physics
Areas of Interest
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