A machine learning protocol for predicting protein infrared spectra S Ye, K Zhong, J Zhang, W Hu, JD Hirst, G Zhang, S Mukamel, J Jiang Journal of the American Chemical Society 142 (45), 19071-19077, 2020 | 80 | 2020 |
A neural network protocol for electronic excitations of N-methylacetamide S Ye, W Hu, X Li, J Zhang, K Zhong, G Zhang, Y Luo, S Mukamel, J Jiang Proceedings of the National Academy of Sciences 116 (24), 11612-11617, 2019 | 72 | 2019 |
Unveiling heterogeneity of interfacial water through the water bending mode T Seki, S Sun, K Zhong, CC Yu, K Machel, LB Dreier, EHG Backus, ... The Journal of Physical Chemistry Letters 10 (21), 6936-6941, 2019 | 52 | 2019 |
A machine-learning protocol for ultraviolet protein-backbone absorption spectroscopy under environmental fluctuations J Zhang, S Ye, K Zhong, Y Zhang, Y Chong, L Zhao, H Zhou, S Guo, ... The Journal of Physical Chemistry B 125 (23), 6171-6178, 2021 | 18 | 2021 |
Ultrafast excitation energy transfer dynamics in the LHCII–CP29–CP24 subdomain of plant photosystem II TN Do, HL Nguyen, P Akhtar, K Zhong, TLC Jansen, J Knoester, S Caffarri, ... The Journal of Physical Chemistry Letters 13 (19), 4263-4271, 2022 | 17 | 2022 |
Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction K Zhong, CC Yu, M Dodia, M Bonn, Y Nagata, T Ohto Physical Chemistry Chemical Physics 22 (22), 12785-12793, 2020 | 17 | 2020 |
Interfacial Water Structure of Binary Liquid Mixtures Reflects Nonideal Behavior X Yu, T Seki, CC Yu, K Zhong, S Sun, M Okuno, EHG Backus, J Hunger, ... The Journal of Physical Chemistry B 125 (37), 10639-10646, 2021 | 12 | 2021 |
Inter-subunit energy transfer processes in a minimal plant photosystem II supercomplex HL Nguyen, TN Do, K Zhong, P Akhtar, TLC Jansen, J Knoester, S Caffarri, ... Science Advances 10 (8), eadh0911, 2024 | 8 | 2024 |
Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics S Ye, K Zhong, Y Huang, G Zhang, C Sun, J Jiang Journal of the American Chemical Society 146 (4), 2663-2672, 2024 | 8 | 2024 |
An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method K Zhong, HL Nguyen, TN Do, HS Tan, J Knoester, TLC Jansen The Journal of Chemical Physics 158 (6), 2023 | 5 | 2023 |
Coarse-Grained Approach to Simulate Signatures of Excitation Energy Transfer in Two-Dimensional Electronic Spectroscopy of Large Molecular Systems K Zhong, HL Nguyen, TN Do, HS Tan, J Knoester, TLC Jansen Journal of Chemical Theory and Computation 20 (14), 6111-6124, 2024 | 2 | 2024 |
Application of the Time-Domain Multichromophoric Fluorescence Resonant Energy Transfer Method in the NISE Programme K Zhong, V Erić, HL Nguyen, KE van Adrichem, GAH Ten Hoven, ... Journal of Chemical Theory and Computation, 2024 | 1 | 2024 |