Dr. Barak Hirshberg
School of Chemistry, Faculty of Exact Sciences
Group website: https://hirshberg-group.webflow.io/
website at TAU - https://www.tau.ac.il/profile/hirshb#anchor_general_info
Our lab develops quantum and classical molecular dynamics simulations of condensed phase systems. We combine path integral molecular dynamics with machine-learning algorithms for overcoming some of the most fundamental limitations of molecular simulations: the fermion sign problem, the dynamical sign problem, and the study of rare events. Using these tools, we investigate fascinating phenomena, such as thermodynamic properties of ultracold trapped atoms, transport of hydrogen molecules in porous solids at low temperatures and chemical reactions with high energy barriers on water surfaces.