Embedded Files
Welcome to the Quantum Chemistry (QC) Group at Chungbuk National University (CBNU)!
Welcome to the Quantum Chemistry (QC) Group at Chungbuk National University (CBNU)!
충북대학교 화학과 양자화학연구실에서는 양자화학 전자구조 방법론을 개발하고, 이를 중심으로 한 컴퓨터화학을 통해서 금속효소 등의 생화학적 시스템에서의 반응 기작을 이론적으로 밝혀내고, 이러한 이해로부터 새로운 효소 / 촉매를 디자인하는 연구를 하고자 합니다.
컴퓨터를 이용한 화학/생물계의 연구에 관심있는 학부생이나 대학원 지망생들을 상시 모집 중입니다: 박재우 교수에게 연락 주시기 바랍니다. (연락처 바로가기) 감사합니다!
We uncover new things (Nova Aperio). We develop quantum chemical electronic structure methods. We reveal reaction mechanisms in chemical systems (e.g., metalloenzymes) using computational methods. In particular, we use quantum chemical methodologies and statistical mechanical methods. We aim to design novel catalysts and enzymes using insights from naturally occurring systems.
If you are interested by any chance, please do not hesitate to contact Jae Woo Park. Thank you!
Nov 19, 2025
New paper! "Approximate Spin–Orbit Eigenstates with Static and Dynamical Correlations: X2CSO-DSRG-MRPT2 Prescription" accepted in J. Chem. Theory Comput.
Nov 14, 2025
Kyeong Su received the "Poster Award" from the Joint Meeting of KCS Daejeon/Sejong/Chungnam - Chungbuk Branches. Congratulations!!
Oct 24, 2025
New coworked paper [with Dr. Alekos Segalina (IBS), Prof. Hyungjun Kim (KAIST) and Prof. William Goddard (CalTech)]! "Deciphering Charge Transfer and Hydrogen Bonding Characteristics from Liquid Water XAS Spectra" accepted in J. Chem. Theory Comput.
Oct 1, 2025
We have updates in Gallery and Students -- take a look when you have some time!
Sep 10, 2025
New coworked paper (with Prof. Sung Min Kang) with a hard work by Sang Uk! "Amphiphilic Poly(SBMA-co-EGDEA) Coatings for Marine Antifouling: Insights into Design Criteria for Hydrophobic Monomers" accepted in Biomacromolecules.
Aug 21, 2025
Kyeong Su received the "Outstanding Graduate Student Research Award" from the KCS Chungbuk Branch. Congratulations!!
May 17, 2025
New paper! "Analytical Gradient Theory for Density-Fitted Exact Two-Component Hartree-Fock, State-Specific Complete Active Space Self-Consistent Field, and Second-Order Møller-Plesset Perturbation Theories" accepted in J. Chem. Theory Comput.
May 3, 2025
We are delighted to announce that Kyeong Su's first original work, "Second-Order Complete Active Space Perturbation Theory (CASPT2) and N-Electron Valence State Perturbation Theory (NEVPT2) Based on Adaptive Sampling Configuration Interaction Self-Consistent Field (ASCI-SCF)," is just accepted in J. Chem. Theory Comput.! Thank you so much for your hard work, Kyeong Su!
양자화학 연구실 석박사통합과정 민경수 의 첫 1저자 논문이 이론화학분야 최고 수준의 학술지인 J. Chem. Theory Comput. 에 게재수리되었습니다. 진심으로 축하합니다! 민경수 학생은 이 외에도 여러 과학적으로 흥미로운 주제를 연구중에 있습니다. 이 성과를 발판삼아 학생 개인도, 연구실 전체도 더욱 발전하길 기대합니다.
Jan 22, 2025
New review paper! "Analytical nuclear gradient and derivative coupling theories for multireference perturbation methods" accepted in Phys. Chem. Chem. Phys. as an invited perspective.
Nov 29, 2024
We have been swamped doing research these days, so we have not been able to update our news for a while. However, we are delighted to announce that Sang Uk successfully defended his M. Sc. thesis (committee chair: Prof. Mino Yang)!! He will stay in our group as a Ph. D. candidate to finish his creative work. Congratulations!
Aug 14, 2024
New coworked paper [with Prof. Manho Lim (Pusan National)] with a good contribution by So Yeon! "Dynamics of NO Release and Linkage Isomer Formation from S-Nitroso-Mercaptoethanol in Aqueous Solutions: Insights from Femtosecond Infrared Spectroscopy" accepted in J. Phys. Chem. Lett. Congratulations!
Page updated
Google Sites
Report abuse