| Intramolecular vibrations in excitation energy transfer: Insights from real-time path integral calculations S Kundu, N Makri Annual Review of Physical Chemistry 73 (1), 349-375, 2022 | 39 | 2022 |
| Real-time path integral simulation of exciton-vibration dynamics in light-harvesting bacteriochlorophyll aggregates S Kundu, N Makri The Journal of Physical Chemistry Letters 11 (20), 8783-8789, 2020 | 39 | 2020 |
| B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations S Kundu, R Dani, N Makri The Journal of Chemical Physics 157 (1), 2022 | 31 | 2022 |
| Franck–Condon and Herzberg–Teller signatures in molecular absorption and emission spectra S Kundu, PP Roy, GR Fleming, N Makri The Journal of Physical Chemistry B 126 (15), 2899-2911, 2022 | 31 | 2022 |
| Synthetic control of exciton dynamics in bioinspired cofacial porphyrin dimers PP Roy, S Kundu, J Valdiviezo, G Bullard, JT Fletcher, R Liu, SJ Yang, ... Journal of the American Chemical Society 144 (14), 6298-6310, 2022 | 31 | 2022 |
| PathSum: A C++ and Fortran suite of fully quantum mechanical real-time path integral methods for (multi-) system+ bath dynamics S Kundu, N Makri The Journal of Chemical Physics 158 (22), 2023 | 26 | 2023 |
| Exciton–vibration dynamics in J-aggregates of a perylene bisimide from real-time path integral calculations S Kundu, N Makri The Journal of Physical Chemistry C 125 (1), 201-210, 2020 | 25 | 2020 |
| Tight inner ring architecture and quantum motion of nuclei enable efficient energy transfer in bacterial light harvesting S Kundu, R Dani, N Makri Science Advances 8 (43), eadd0023, 2022 | 24 | 2022 |
| Modular path integral for discrete systems with non-diagonal couplings S Kundu, N Makri The Journal of Chemical Physics 151 (7), 2019 | 23 | 2019 |
| Modular path integral for finite-temperature dynamics of extended systems with intramolecular vibrations S Kundu, N Makri The Journal of Chemical Physics 153 (4), 2020 | 21 | 2020 |
| Efficient matrix factorisation of the modular path integral for extended systems S Kundu, N Makri Molecular Physics 119 (13), e1797200, 2021 | 16 | 2021 |
| Interference between Franck–Condon and Herzberg–Teller terms in the condensed-phase molecular spectra of metal-based tetrapyrrole derivatives PP Roy, S Kundu, N Makri, GR Fleming The journal of physical chemistry letters 13 (32), 7413-7419, 2022 | 14 | 2022 |
| Origin of vibrational features in the excitation energy transfer dynamics of perylene bisimide J-aggregates S Kundu, N Makri The Journal of Chemical Physics 154 (11), 2021 | 14 | 2021 |
| Time evolution of bath properties in spin-boson dynamics S Kundu, N Makri The Journal of Physical Chemistry B 125 (29), 8137-8151, 2021 | 11 | 2021 |
| Coherence maps and flow of excitation energy in the bacterial light harvesting complex 2 R Dani, S Kundu, N Makri The Journal of Physical Chemistry Letters 14 (16), 3835-3843, 2023 | 9 | 2023 |
| Electronic-vibrational density evolution in a perylene bisimide dimer: mechanistic insights into excitation energy transfer S Kundu, N Makri Physical Chemistry Chemical Physics 23 (29), 15503-15514, 2021 | 7 | 2021 |
| Small matrix quantum-classical path integral S Kundu, N Makri The Journal of Physical Chemistry Letters 13 (15), 3492-3498, 2022 | 6 | 2022 |
| Quantum information scrambling and chemical reactions C Zhang, S Kundu, N Makri, M Gruebele, PG Wolynes Proceedings of the National Academy of Sciences 121 (15), e2321668121, 2024 | 5 | 2024 |
| Coherence in Chemistry: Foundations and Frontiers JD Schultz, JL Yuly, EA Arsenault, K Parker, SN Chowdhury, R Dani, ... Chemical reviews 124 (21), 11641-11766, 2024 | 4 | 2024 |
| Diabatic states of charge transfer with constrained charge equilibration S Kundu, HZ Ye, TC Berkelbach arXiv preprint arXiv:2411.04807, 2024 | | 2024 |
Nancy MakriProfessor of Chemistry, University of IllinoisVerified email at makri.scs.uiuc.edu
