top of page
Welcome to the Zhu Group
@ Yale University
Theoretical Chemistry and Computational Materials Science
Home: Welcome
Research
We develop and apply electronic structure methods for studying condensed phase quantum phenomena.
We develop computational frameworks and numerical algorithms to extend the capability of many-body quantum chemistry methods for capturing condensed matter quantum properties.
We simulate and design novel quantum materials for quantum information science, unconventional superconductor, and photovoltaic applications.
We investigate molecular-level mechanisms and explore design space of heterogeneous catalysis, through electronic structure and data-driven machine learning approaches.
Home: Research
Home: Contact
bottom of page