Choi Theoretical Chemistry Group · Kyungpook National University

Developing next-gen quantum theories for the real science

We develop quantum theories to understand how molecules behave—from their electronic structure to the reactions triggered by light. Led by Cheol Ho Choi, our group brings together electronic-structure theory, scientific software development, and molecular simulations.

Our research spans MRSF-TDDFT and related methods, analytic gradients and nonadiabatic couplings, spectroscopy, and excited-state dynamics in molecular environments. Through OpenQP and collaborations with experimental researchers, we connect new theoretical ideas with chemical questions that can be tested.