Madison, Wisc. – Dr. Frank Noé, Partner Research Manager at Microsoft Research AI for Science in Berlin, has been awarded the 2025–2026 Joseph O. Hirschfelder Prize in Theoretical Chemistry. Dr. Noé will visit the Department …
Theoretical/Computational
Huang Laboratory
The main goal of the Huang Lab is to understand and manipulate biomolecular dynamics by developing and applying novel statistical mechanics-based methods that can bridge the gap between experiments and simulations.
Schmidt Group
The Schmidt Group applies computational approaches to study complex materials, often with direct applications to problems of relevance to energy and fuels.
Soley Group
The Soley Group pursues research at the intersection of chemistry, physics, applied mathematics, and computer science with a particular interest in ultracold chemistry, quantum computing algorithms, quantum reflection, and PT symmetry.
Yang Group
The Yang Group’s research focuses on theoretical and computational chemistry, with two primary areas of interest: 1) developing hardcore theoretical methods in multicomponent quantum chemistry and 2) applying these methods to chemical, biological, and materials systems.
Yethiraj Group
The Yethiraj Group research focuses on theoretical studies of soft condensed matter.
Ping Group (Affiliate)
The Ping Group’s research focuses on developing theoretical and computational methods, such as many-body perturbation theory and first-principles open quantum dynamics based on density-matrix formalism, to understand and predict materials’ properties, including optoelectronic, excitonic, and …
Van Lehn Group (Affiliate)
The Van Lehn Group uses molecular simulations and data-centric methods to characterize, predict, and engineer the behavior of synthetic and biological soft materials for applications relevant to human health, sustainability, and energy.