조교수
이승훈 Lee, Seunghoon
계산양자화학 연구실
LAB Website
LAB Website
OFFICE
502-222
/
02-880-6657
LAB
502-207
/
02-880-6655
E-MAIL seunghoonlee@snu.ac.kr
연구내용
Lee’s group is focused on exploring the unusual chemistry of transition metal complexes using advanced computational approaches, aiming to accelerate the discovery of next-generation transition-metal catalysts and materials. Transition-metal molecules and materials possess unique electronic and magnetic properties that can vary significantly depending on their environment, offering immense potential for a wide range of applications in chemistry. Such dramatic changes result from a quantum chemical phenomenon known as strong electronic correlation. Thus, there is an urgent need for theoretical and computational tools that can simulate real-world transition-metal molecules and materials. Motivated by this challenge, our research team is focused on advancing many-body electronic structure methods to simulate the complex systems, utilizing both classical and quantum computing devices.
학력
- Ph.D. Chemistry, Seoul National University, South Korea, 2014-2019
- B.S. Chemistry, Seoul National University, South Korea, 2008-2014 (Military Service, 2009-2011)
주요 경력
- Postdoctoral Fellow, California Institute of Technology, USA, 2019-2023
주요 논문
- S. Lee, J. Lee, H. Zhai, Y. Tong, A. M. Dalzell, A. Kumar, P. Helms, J. Gray, Z.-H. Cui, W. Liu, M. Kastoryano, R. Babbush, J. Preskill, D. R. Reichman, E. T. Campbell, E. F. Valeev, L. Lin, G. K. Chan, Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry, Nature Communications, 14, 1952 (2023)
- S. Lee, H. Zhai, G. K. Chan, An ab initio correction vector restricted active space approach to the L-edge XAS and 2p3d RIXS spectra of transition metal clusters, arXiv preprint arXiv:2305.08184 (2023)
- S. Lee, W. Park, H. Nakata, M. Filatov, C.-H. Choi, Mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT) as a method of choice for nonadiabatic molecular dynamics, Time-Dependent Density Functional Theory, Jenny Stanford Publishing, 101-139 (2022)
- S. Lee, H. Zhai, S. Sharma, C. J. Umrigar, G. K. Chan, Externally corrected ccsd with renormalized perturbative triples (R-ecCCSD (T)) and the density matrix renormalization group (DMRG) and selected configuration interaction (SCI) external sources, Journal of Chemical Theory and Computation, 17, 3414 (2021)
- S. Lee, Y. Horbatenko, M. Filatov, C.-H. Choi, Fast and accurate computation of nonadiabatic coupling matrix elements (NACME) using the truncated leibniz formula and mixed-reference spin-flip time-dependent density functional theory, The Journal of Physical Chemistry Letters, 12, 4722 (2021)
- S. Lee, S. Shostak, M. Filatov, C.-H. Choi, Conical intersections in organic molecules: Benchmarking mixed-reference spin–flip time-dependent DFT (MRSF-TD-DFT) vs spin–flip TD-DFT, The Journal of Physical Chemistry A, 123, 6455 (2019)
논문 검색
Youngeun Hong, Changkyu Park, Junseong Jang, Minseok Oh, Dongwook Kim, Seunghoon Lee, Seung Youn Hong
Woojin Park, Seunghoon Lee, Konstantin Komarov, Vladimir Mironov, Hiroya Nakata, Tao Zeng, Miquel Huix-Rotllant, Cheol Ho Choi
Woojin Park, Alireza Lashkaripour, Konstantin Komarov, Seunghoon Lee, Miquel Huix-Rotllant, Cheol Ho Choi*
Seunghoon Lee, Huanchen Zhai, Garnet Kin-Lic Chan
Konstantin Komarov, Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, Cheol Ho Choi
