Center for Integrated Nanotechnologies
Theoretical chemistry of organic and semiconductor electronic functional materials including conjugated polymers, carbon nanotubes, semiconductor nanoparticles, mixed halide perovskites and molecular aggregates; Adiabatic and non-adiabatic molecular dynamics of electronically excited states; machine learning for materials science and chemistry. Lab capabilities include open-source codes for non-adiabatic excited state dynamics in molecules; theoretical chemistry and theoretical spectroscopy modeling at nanoscale; machine learning algorithms for force fields and beyond.
