Please join Yale Chemistry for a Silliman Seminar in theoretical/ materials chemistry with Anatole von Lilienfeld, Professor & Clark Chair of Advanced Materials at the Vector Institute, from University of Toronto.
Title: TBD
The von Lilienfeld Group is an interdisciplinary team at University of Toronto, working on theoretical and computational methods for the quantum mechanics based exploration of chemical space. The lab was established in July of 2013 in Basel, CH, moved in 2020 to Vienna, AT, and finally in 2022 to Toronto, CA. Our research falls into the realm of physical chemistry and relies on theory and computations. Due to the interdisciplinary nature of their work, they rely heavily on physics, mathematics, and computer sciences. The research members also compare their computational predictions to experimental results reported in the scientific literature and collaborate directly with experimentalists.
The von Lilienfeld Group’s work focuses on the following areas:
-chemical compound space
-conceptual as well as molecular grand-canonical ensemble density functional theory
-ligand design and intermolecular binding
-quantum chemistry (solving approximate Schrödinger equations with density functional theory, semi-empirical methods, or post-Hartree Fock methods)
-machine learning (supervised learning approaches applied to important equations in chemistry)
-statistical mechanics (using electronic, atomistic, coarse-grained & empirical force-fields and multi-scaling)
-molecules, liquids, and solids including molecular crystals and defect
-supercomputing
For more information on the von Lilienfeld Group’s research: https://chemspacelab.chem.utoronto.ca/research
Faculty Hosts: Professors Tianyu Zhu and Bill Jorgensen
This seminar is generously sponsored by the Mrs. Hepsa Ely Silliman Memorial Fund.