Candidate for Visiting Assistant Professor in Physics.

Quantum Properties in Molecular Materials: Insights from Electronic Structure Calculations

Molecular materials are providing new opportunities to search for quantum properties. In this talk, I will show two ways to approach this goal via novel electronic structure theories. The first one is to focus on molecular properties. Study of spin-crossover molecule by density functional theory plus dynamical mean-field theory will be presented as an example. The second one is to study connections between molecular units in solids, and collective behaviors as the result. A theory for superconductivity in chevrel phase compounds based on Migdal-Eliashberg theory and ab-initio calculations will be presented to showcase efforts in this direction.