Publications by authors named "Sayan Maity"

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Conformational plasticity enables functional switching in diatom light-harvesting complexes.
Theofani-Iosifina Sousani, Boutheina Zender, Sayan Maity, Ulrich Kleinekathöfer, Vangelis Daskalakis

Commun Chem· December 2025

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Multiscale Simulation of Primary Charge Separation Mechanisms in an LH1-RC Complex.
Sayan Maity, Ulrich Kleinekathöfer

JACS Au· November 2025

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Unveiling the Role Reversal of Guest and Host in OverTolerant Hybrid Perovskites.
Pradhi Srivastava, Sayan Maity, Varadharajan Srinivasan

Small· March 2025

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An Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection.
Vangelis Daskalakis, Sayan Maity, Ulrich Kleinekathöfer

ACS Phys Chem Au· January 2025

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Percolation of nonequilibrium assemblies of colloidal particles in active chiral liquids.
Pragya Kushwaha, Sayan Maity, Anjaly Menon, Raghunath Chelakkot, Vijayakumar Chikkadi

Soft Matter· June 2024

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Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers.
Aaron Forde, Sayan Maity, Victor M Freixas, Sebastian Fernandez-Alberti, Amanda J Neukirch

J Phys Chem Lett· April 2024

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Electric Field Susceptibility of Chlorophyll c Leads to Unexpected Excitation Dynamics in the Major Light-Harvesting Complex of Diatoms.
Sayan Maity, Vangelis Daskalakis, Thomas L C Jansen, Ulrich Kleinekathöfer

J Phys Chem Lett· March 2024

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Multifidelity Machine Learning for Molecular Excitation Energies.
Vivin Vinod, Sayan Maity, Peter Zaspel, Ulrich Kleinekathöfer

J Chem Theory Comput· November 2023

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Incoherent Energy Transfer between the Baseplate and FMO Protein Explored at Ideal Geometries.
Jan P Götze, Sayan Maity, Ulrich Kleinekathöfer

J Phys Chem B· September 2023

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Phase separation of passive particles in active liquids.
Pragya Kushwaha, Vivek Semwal, Sayan Maity, Shradha Mishra, Vijayakumar Chikkadi

Phys Rev E· September 2023

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Correction: Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes.
Beatrix M Bold, Monja Sokolov, Sayan Maity, Marius Wanko, Philipp M Dohmen

Phys Chem Chem Phys· August 2023

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Stabilizing Polar Domains in MAPbBr via the Hydrostatic Pressure-Induced Liquid Crystal-like Transition.
Sayan Maity, Suraj Verma, Lavanya M Ramaniah, Varadharajan Srinivasan

J Phys Chem Lett· June 2023

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Recent progress in atomistic modeling of light-harvesting complexes: a mini review.
Sayan Maity, Ulrich Kleinekathöfer

Photosynth Res· April 2023

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Spectral densities and absorption spectra of the core antenna complex CP43 from photosystem II.
Pooja Sarngadharan, Sayan Maity, Ulrich Kleinekathöfer

J Chem Phys· June 2022

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Robust Strategy for Photoprotection in the Light-Harvesting Antenna of Diatoms: A Molecular Dynamics Study.
Anthi Chrysafoudi, Sayan Maity, Ulrich Kleinekathöfer, Vangelis Daskalakis

J Phys Chem Lett· October 2021

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Time-dependent atomistic simulations of the CP29 light-harvesting complex.
Sayan Maity, Pooja Sarngadharan, Vangelis Daskalakis, Ulrich Kleinekathöfer

J Chem Phys· August 2021

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Pressure induced topochemical polymerization of solid acrylamide facilitated by anisotropic response of the hydrogen bond network.
Sayan Maity, Abhijeet S Gangan, Ashwini Anshu, Rashid Rafeek V Valappil, Brahmananda Chakraborty

Phys Chem Chem Phys· April 2021

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Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II.
Sayan Maity, Vangelis Daskalakis, Marcus Elstner, Ulrich Kleinekathöfer

Phys Chem Chem Phys· March 2021

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DFTB/MM Molecular Dynamics Simulations of the FMO Light-Harvesting Complex.
Sayan Maity, Beatrix M Bold, Jigneshkumar Dahyabhai Prajapati, Monja Sokolov, Tomáš Kubař

J Phys Chem Lett· October 2020

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Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes.
Beatrix M Bold, Monja Sokolov, Sayan Maity, Marius Wanko, Philipp M Dohmen

Phys Chem Chem Phys· May 2020

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Structural Basis for Allosteric Regulation in the Major Antenna Trimer of Photosystem II.
Vangelis Daskalakis, Sayan Maity, Cameron Lewis Hart, Taxiarchis Stergiannakos, Christopher D P Duffy

J Phys Chem B· November 2019

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