Publications by authors named "Graham Worth"

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Machine learning for nonadiabatic molecular dynamics: best practices and recent progress.
Carolin Müller, Štěpán Sršeň, Brigitta Bachmair, Rachel Crespo-Otero, Jingbai Li, Graham Worth

Chem Sci· October 2025

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Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics.
Léon L E Cigrang, Basile F E Curchod, Rebecca A Ingle, Aaron Kelly, Jonathan R Mannouch, Graham A Worth

J Phys Chem A· August 2025

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The strong-field control of IBr photodissociation re-visited.
Cristina Sanz-Sanz, Graham A Worth

Phys Chem Chem Phys· August 2025

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Coherent Excitation of the CH Stretching Vibrations in CH : The Role of the Derivative Coupling Studied by the Quantum Ehrenfest Method.
Thierry Tran, Graham A Worth, Michael A Robb

J Comput Chem· January 2025

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Efficient Ground-State Recovery of UV-Photoexcited -Nitrophenol in Aqueous Solution by Direct and Multistep Pathways.
Deborin Ghosh, K Eryn Spinlove, Hallam J M Greene, Nicholas Lau, Sandra Gómez, Graham A Worth

J Am Chem Soc· November 2024

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A multiphoton ionisation photoelectron imaging study of thiophene.
Joseph J Broughton, Sarbani Patra, Michael A Parkes, Graham A Worth, Helen H Fielding

Phys Chem Chem Phys· October 2024

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Modeling Photodissociation: Quantum Dynamics Simulations of Methanol.
Léon L E Cigrang, Graham A Worth

J Phys Chem A· September 2024

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The "simple" photochemistry of thiophene.
Michael A Parkes, Graham A Worth

J Chem Phys· September 2024

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Controlling Electronic Coherences and the Curvature Induced by the Derivative Coupling at a Conical Intersection: A Quantum Ehrenfest (QuEh) Protocol for Reaction Path Following Application to "Channel 3" Benzene Photochemistry.
Graham A Worth, Michael A Robb

J Phys Chem A· July 2024

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Prediction through quantum dynamics simulations: Photo-excited cyclobutanone.
Olivia Bennett, Antonia Freibert, K Eryn Spinlove, Graham A Worth

J Chem Phys· May 2024

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Unraveling the Ultrafast Photochemical Dynamics of Nitrobenzene in Aqueous Solution.
Nicholas A Lau, Deborin Ghosh, Susannah Bourne-Worster, Rhea Kumar, William A Whitaker, Graham A Worth

J Am Chem Soc· April 2024

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Quantum dynamics of excited state proton transfer in green fluorescent protein.
Susannah Bourne-Worster, Graham A Worth

J Chem Phys· February 2024

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A First Proposal on the Nitrobenzene Photorelease Mechanism of NO and Its Relation to NO Formation through a Roaming Mechanism.
Angelo Giussani, Graham A Worth

J Phys Chem Lett· February 2024

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Benchmarking non-adiabatic quantum dynamics using the molecular Tully models.
Sandra Gómez, Eryn Spinlove, Graham Worth

Phys Chem Chem Phys· January 2024

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On the multiphoton ionisation photoelectron spectra of phenol.
Diptesh Dey, Joanne L Woodhouse, Marcus P Taylor, Helen H Fielding, Graham A Worth

Phys Chem Chem Phys· January 2024

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Propagating multi-dimensional density operators using the multi-layer-ρ multi-configurational time-dependent Hartree method.
Alice Van Haeften, Ceridwen Ash, Graham Worth

J Chem Phys· November 2023

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Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing.
Don Danilov, Andrew J Jenkins, Michael J Bearpark, Graham A Worth, Michael A Robb

J Phys Chem Lett· July 2023

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Photoelectron spectroscopy and dissociative photoionization of fulminic acid, HCNO.
Marius Gerlach, Barry Mant, Tobias Preitschopf, Emil Karaev, Dennis Mayer, Graham Worth

J Chem Phys· April 2023

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On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model.
Angelo Giussani, Graham A Worth

J Chem Phys· November 2022

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Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform.
James A Green, Sandra Gómez, Graham Worth, Fabrizio Santoro, Roberto Improta

Chemistry· October 2022

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Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform.
James A Green, Sandra Gómez, Graham Worth, Fabrizio Santoro, Roberto Improta

Chemistry· October 2022

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Quantum Interference Paves the Way for Long-Lived Electronic Coherences.
Diptesh Dey, Alexander I Kuleff, Graham A Worth

Phys Rev Lett· October 2022

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How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation.
Don Danilov, Thierry Tran, Michael J Bearpark, Jon P Marangos, Graham A Worth

J Chem Phys· June 2022

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Micro-Solvated DMABN: Excited State Quantum Dynamics and Dual Fluorescence Spectra.
Sandra Gómez, Esra N Soysal, Graham A Worth

Molecules· November 2021

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Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol.
Georgia Christopoulou, Thierry Tran, Graham A Worth

Phys Chem Chem Phys· October 2021

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