Qm3 lab
Quantum-mechanical simulation lab of molecules and materials
Qm3 lab
Quantum-mechanical simulation lab of molecules and materials
Welcome to Qm3 lab
We are in the Department of Applied Chemistry @ Kyung Hee University Global Campus.
We do Quantum-mechanical modeling of molecules and materials (Qm3).
We focus on the improvement with density functional theory (DFT) and its application to molecular and material simulation.
경희대학교 응용화학과 이론물리화학연구실(Qm3 lab)입니다.
밀도범함수이론(density functional theory; DFT)을 기반으로 분자 및 재료 전산모사를 수행하며
밀도범함수이론이 갖는 문제점(nonlocal correlation, 반데르발스 상호작용 등)을 개선하는 연구를 수행합니다.