PyUNIxMD: A Python‐based excited state molecular dynamics package IS Lee, JK Ha, D Han, TI Kim, SW Moon, SK Min Journal of Computational Chemistry 42 (24), 1755-1766, 2021 | 34 | 2021 |
Silver sulfide nanocrystals as a biocompatible and full-spectrum photocatalyst for efficient light-driven polymerization under aqueous and ambient conditions C Yu, J Song, TI Kim, Y Lee, Y Kwon, J Kim, J Park, J Choi, J Doh, SK Min, ... ACS Catalysis 13 (1), 665-680, 2022 | 15 | 2022 |
Singlet Oxygen Generation from Polyaminoglycerol by Spin-Flip-Based Electron Transfer JS Nam, Y Hong, CG Lee, TI Kim, C Lee, DH Roh, IS Lee, S Kweon, ... JACS Au 2 (4), 933-942, 2022 | 14 | 2022 |
Coupled-and independent-trajectory approaches based on the exact factorization using the PyUNIxMD package TI Kim, JK Ha, SK Min New Horizons in Computational Chemistry Software, 153-179, 2022 | 11 | 2022 |
Electrochemical Formation of a Covalent–Ionic Stage-1 Graphite Intercalation Compound with Trifluoroacetic Acid B Gurzeda, TI Kim, M Arsakay, M Choe, SH Lee, Z Lee, SK Min, RS Ruoff Chemistry of Materials 34 (1), 217-231, 2021 | 5 | 2021 |
Rapid initial state preparation for the quantum simulation of strongly correlated molecules DW Berry, Y Tong, T Khattar, A White, TI Kim, S Boixo, L Lin, S Lee, ... arXiv preprint arXiv:2409.11748, 2024 | 4 | 2024 |
Calculation of exciton couplings based on density functional tight-binding coupled to state-interaction state-averaged ensemble-referenced Kohn–Sham approach TI Kim, IS Lee, H Kim, SK Min The Journal of Chemical Physics 158 (4), 2023 | 3 | 2023 |
Unveiling Energy Transfer Mechanisms in Nanographene-Incorporated Metal–Organic Frameworks J Lee, E Hwang, TI Kim, E Jin, E Cho, YS Park, SK Min, TH Kwon, W Choe ACS Materials Letters 6 (4), 1151-1159, 2024 | 1 | 2024 |