조교수
이승훈 Lee, Seunghoon
계산 양자화학 연구실
LAB Website
LAB Website
OFFICE
502
/
02-880-6657
LAB
503
/
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
Seunghoon Lee, Huanchen Zhai, Garnet Kin-Lic Chan
Konstantin Komarov, Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, Cheol Ho Choi
