Mazziotti group
- mukherjee@uchicago.edu
Background
Madhubani Mukherjee joined the University of Chicago as a postdoctoral researcher in
the group of Prof. David Mazziotti, where she works on reduced density matrix
functional theory (RDMFT) and strongly correlated electronic systems. She received her
Ph.D. in Chemistry from the University of Southern California in 2025 under the
supervision of Prof. Anna Krylov, where she developed a unified ab initio framework for
describing continuum electronic states—spanning electronically resonant anions and
free-electron wavefunctions—on the same theoretical footing as bound-state quantum
chemistry. The work integrated non-Hermitian formalisms based on complex absorbing
potentials (CAPs) with a Gaussian–plane-wave (GPW) basis representation to extend
electronic-structure theory beyond the discrete spectrum.
Research
Her current research focuses on many-body electronic structure theory, including 1- and
2-RDM-based approaches, correlation diagnostics, and the study of strongly correlated
materials such as transition metal oxides and quantum materials.