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Sayan Maity
Sayan Maity
Post-doctoral Researcher at Constructor University Bremen
Verifierad e-postadress på constructor.university - Startsida
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DFTB/MM molecular dynamics simulations of the FMO light-harvesting complex
S Maity, BM Bold, JD Prajapati, M Sokolov, T Kubař, M Elstner, ...
The Journal of Physical Chemistry Letters 11 (20), 8660-8667, 2020
532020
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
BM Bold, M Sokolov, S Maity, M Wanko, PM Dohmen, JJ Kranz, ...
Physical Chemistry Chemical Physics 22 (19), 10500-10518, 2020
532020
Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II
S Maity, V Daskalakis, M Elstner, U Kleinekathöfer
Physical Chemistry Chemical Physics 23 (12), 7407-7417, 2021
382021
Recent progress in atomistic modeling of light-harvesting complexes: A mini review
S Maity, U Kleinekathöfer
Photosynthesis Research 156 (1), 147-162, 2023
352023
On a chlorophyll-caroteinoid coupling in LHCII
S Maity, A Gelessus, V Daskalakis, U Kleinekathöfer
Chemical Physics 526, 110439, 2019
302019
Time-dependent atomistic simulations of the CP29 light-harvesting complex
S Maity, P Sarngadharan, V Daskalakis, U Kleinekathöfer
The Journal of Chemical Physics 155 (5), 2021
282021
Structural basis for allosteric regulation in the major antenna trimer of photosystem II
V Daskalakis, S Maity, CL Hart, T Stergiannakos, CDP Duffy, ...
The Journal of Physical Chemistry B 123 (45), 9609-9615, 2019
272019
Robust strategy for photoprotection in the light-harvesting antenna of diatoms: a molecular dynamics study
A Chrysafoudi, S Maity, U Kleinekathöfer, V Daskalakis
The Journal of Physical Chemistry Letters 12 (39), 9626-9633, 2021
222021
Spectral densities and absorption spectra of the core antenna complex CP43 from photosystem II
P Sarngadharan, S Maity, U Kleinekathöfer
The Journal of Chemical Physics 156 (21), 2022
162022
Multifidelity machine learning for molecular excitation energies
V Vinod, S Maity, P Zaspel, U Kleinekathöfer
Journal of Chemical Theory and Computation 19 (21), 7658-7670, 2023
142023
Electric Field Susceptibility of Chlorophyll c Leads to Unexpected Excitation Dynamics in the Major Light-Harvesting Complex of Diatoms
S Maity, V Daskalakis, TLC Jansen, U Kleinekathöfer
The Journal of Physical Chemistry Letters 15 (9), 2499-2510, 2024
32024
Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers
A Forde, S Maity, VM Freixas, S Fernandez-Alberti, AJ Neukirch, ...
The Journal of Physical Chemistry Letters 15 (15), 4142-4150, 2024
22024
Correction: Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
BM Bold, M Sokolov, S Maity, M Wanko, PM Dohmen, JJ Kranz, ...
Physical Chemistry Chemical Physics 25 (33), 22535-22537, 2023
22023
An Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection
V Daskalakis, S Maity, U Kleinekathöfer
ACS Physical Chemistry Au, 2024
12024
Incoherent energy transfer between the baseplate and FMO protein explored at ideal geometries
JP Götze, S Maity, U Kleinekathöfer
The Journal of Physical Chemistry B 127 (37), 7829-7838, 2023
12023
Multi-Fidelity Machine Learning for Excited State Energies of Molecules
V Vinod, S Maity, P Zaspel, U Kleinekathöfer
arXiv preprint arXiv:2305.11292, 2023
12023
Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A study employing Multifidelity Machine Learning
D Lyu, M Holzenkamp, V Vinod, YM Holtkamp, S Maity, CR Salazar, ...
arXiv preprint arXiv:2410.20551, 2024
2024
Robust and Reliable Multiscale Modeling of Molecular Photoinduced Processes
S Maity
Jacobs University Bremen, 2021
2021
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Artiklar 1–18