Publications by authors named "Thomas Fay"

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Enantioselective Radical Reactions Can Be Induced by Electron Spin Polarization: A Quantum Mechanism for Nature's Emergent Homochirality?
Thomas P Fay

J Phys Chem Lett· September 2025

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Analytic Gradients and Periodic Boundary Conditions for Direct Reaction Field Polarizable QM/MM with Electrostatic Potential Fitting.
Thomas P Fay, Miquel Huix-Rotllant, Nicolas Ferré

J Chem Theory Comput· September 2025

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Correction: Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories.
Johan E Runeson, Thomas P Fay, David E Manolopoulos

Phys Chem Chem Phys· July 2025

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Molecular Engineering of Emissive Molecular Qubits Based on Spin-Correlated Radical Pairs.
Neo Lin, Miu Tsuji, Isabella Bruzzese, Angela Chen, Michael Vrionides, Thomas P Fay

J Am Chem Soc· April 2025

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Efficient Polarizable QM/MM Using the Direct Reaction Field Hamiltonian with Electrostatic Potential Fitted Multipole Operators.
Thomas P Fay, Nicolas Ferré, Miquel Huix-Rotllant

J Chem Theory Comput· January 2025

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Spin Dynamics of Radical Pairs Using the Stochastic Schrödinger Equation in .
Gediminas Jurgis Pažėra, Thomas P Fay, Ilia A Solov'yov, P J Hore, Luca Gerhards

J Chem Theory Comput· October 2024

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Extending non-adiabatic rate theory to strong electronic couplings in the Marcus inverted regime.
Thomas P Fay

J Chem Phys· July 2024

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Coherent control from quantum commitment probabilities.
Michelle C Anderson, Amro Dodin, Thomas P Fay, David T Limmer

J Chem Phys· July 2024

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Unraveling the mechanisms of triplet state formation in a heavy-atom free photosensitizer.
Thomas P Fay, David T Limmer

Chem Sci· May 2024

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Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories.
Johan E Runeson, Thomas P Fay, David E Manolopoulos

Phys Chem Chem Phys· February 2024

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Kinetics of the xanthophyll cycle and its role in photoprotective memory and response.
Audrey Short, Thomas P Fay, Thien Crisanto, Ratul Mangal, Krishna K Niyogi

Nat Commun· October 2023

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On the Mechanism of Polaritonic Rate Suppression from Quantum Transition Paths.
Michelle C Anderson, Esmae J Woods, Thomas P Fay, David J Wales, David T Limmer

J Phys Chem Lett· August 2023

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Spin selective charge recombination in chiral donor-bridge-acceptor triads.
Thomas P Fay, David T Limmer

J Chem Phys· May 2023

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Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach.
Thomas P Fay, David T Limmer

J Chem Phys· November 2022

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A simple improved low temperature correction for the hierarchical equations of motion.
Thomas P Fay

J Chem Phys· August 2022

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Xanthophyll-cycle based model of the rapid photoprotection of Nannochloropsis in response to regular and irregular light/dark sequences.
Audrey H Short, Thomas P Fay, Thien Crisanto, Johanna Hall, Collin J Steen

J Chem Phys· May 2022

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Origin of Chirality Induced Spin Selectivity in Photoinduced Electron Transfer.
Thomas P Fay, David T Limmer

Nano Lett· August 2021

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Chirality-Induced Spin Coherence in Electron Transfer Reactions.
Thomas P Fay

J Phys Chem Lett· February 2021

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Spin relaxation in radical pairs from the stochastic Schrödinger equation.
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos

J Chem Phys· February 2021

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Quantum mechanical spin dynamics of a molecular magnetoreceptor.
Lachlan P Lindoy, Thomas P Fay, David E Manolopoulos

J Chem Phys· April 2020

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How quantum is radical pair magnetoreception?
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos, P J Hore

Faraday Discuss· December 2019

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Spectroscopic signatures of quantum effects: general discussion.
Antonios M Alvertis, William Barford, Susannah Bourne Worster, Irene Burghardt, Alex Chin, Thomas Fay

Faraday Discuss· December 2019

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Quantum coherence in complex environments: general discussion.
Antonios M Alvertis, William Barford, Susannah Bourne Worster, Irene Burghardt, Animesh Datta, Thomas Fay

Faraday Discuss· December 2019

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Electron spin relaxation in radical pairs: Beyond the Redfield approximation.
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos

J Chem Phys· October 2019

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Radical pair intersystem crossing: Quantum dynamics or incoherent kinetics?
Thomas P Fay, David E Manolopoulos

J Chem Phys· April 2019

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