The Cho group specializes in theoretical chemistry, focusing on the quantum phenomena occurring within materials. By constructing theoretical models and performing simulations, we study the electronic and optical properties of various materials. These simulations offer insights that are often beyond the reach of experimental approaches, enabling us to establish structure-property relationships and design innovative materials with specific desired properties.

Our research is particularly concerned with the high computational demands associated with complex materials, which often limit the scope of material exploration. To address this challenge, our group is dedicated to developing methods that reduce computational costs and expedite materials discovery. Our primary focus is on applications such as LEDs that efficiently convert energy to light and solar cells that effectively transform light into energy.

Our projects encompass: (i) developing cost-effective methods for excited state calculations utilizing data science, (ii) developing an automated workflow to build an extensive database of excited states and enhance our methods based on this database, and (iii) investigating the impact of electron-phonon coupling on the spectroscopy of hybrid organic-inorganic materials. These objectives aim to produce affordable excited state methodologies, enabling the investigation of materials on larger length and longer time scales.