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Physical Chemistry

Working Paper

Vibrational Coherences in Manganese Single-molecule Magnets after Ultrafast Photoexcitation

Florian Liedy, Robbie McNab, Julien Eng, Ross Inglis, Thomas Penfold, Euan K. Brechin, Johan Olof Johansson

Version 1 posted 19 December 2018

694

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Physical Chemistry

Working Paper

Atomic-scale observation of solvent reorganization influencing photoinduced structural dynamics in a copper complex photosensitizer

Tetsuo Katayama, Tae-Kyu Choi, Dmitry Khakhulin, Asmus Dohn, Christopher Milne, György Vankó, Zoltán Németh, Frederico Lima, Jakub Szlachetko, Tokushi Sato, Shunsuke Nozawa, Shin-ichi Adachi, Makina Yabashi, Thomas Penfold, Wojciech Gawelda, Gianluca Levi

Version 1 posted 06 December 2022

227

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Physical Chemistry

Working Paper

Direct Observation of Ultrafast Exciton Localization in an Organic Semiconductor with Soft X-ray Transient Absorption Spectroscopy

Douglas Garratt, Lukas Misiekis, David Wood, Esben Witting Larsen, Mary Matthews, Oliver Alexander, Peng Ye, Sebastian Jarosch, Clement Ferchaud, Artem Bakulin, Thomas Penfold, Jon Marangos

Version 1 posted 11 October 2021

449

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Theoretical and Computational Chemistry

Working Paper

A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra

Conor Rankine, Marwah Madkhali, Thomas Penfold

Version 1 posted 28 April 2020

566

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Physical Chemistry

Working Paper

Modelling Molecular Emitters in Organic Light Emitting Diodes with the Quantum Mechanical Bespoke Force Field

Lupeng Yang, Joshua Horton, Michael C. Payne, Thomas Penfold, Daniel Cole

Version 1 posted 03 February 2021

466

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Organic Chemistry

Working Paper

Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter

P Rajamalli, Federica Rizzi, Wenbo Li, Michael Jinks, Abhishek Gupta, Beth Laidlaw, Ifor Samuel, Thomas Penfold, Stephen Goldup, Eli Zysman-Colman

Version 1 posted 04 February 2021

714

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Theoretical and Computational Chemistry

Working Paper

Accurate, Affordable, and Generalisable Machine Learning Simulations of Transition Metal X-ray Absorption Spectra using the XANESNET Deep Neural Network

Conor Rankine, Thomas Penfold

Version 1 posted 03 February 2022

373

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Physical Chemistry

Working Paper

Ligand-controlled alteration of nuclear trajectories during photoinduced intersystem crossing in bis-meridional Fe(II) complexes

Ryan Ash, Kaili Zhang, Conor Rankine, Justin Malme, Thomas Penfold, Gregory Girolami, Josh Vura-Weis

Version 2 posted 07 June 2024

119

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Physical Chemistry

Working Paper

Partial Density of States Representation for Accurate Deep Neural Network Predictions of X-ray Spectra

Clelia Middleton, Basile Curchod, Thomas Penfold

Version 1 posted 09 February 2024

186

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Materials Chemistry

Working Paper

Rigid and planar π-conjugated molecules leading to long-lived intramolecular charge-transfer states exhibiting thermally activated delayed fluorescence

Suman Kuila, Hector Miranda-Salinas, Julien Eng, Chunyong Li, Martin R. Bryce, Thomas J. Penfold, Andrew P. Monkman

Version 1 posted 08 May 2024

303

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10 results in Thomas Penfold in Authors: Thomas Penfold

Vibrational Coherences in Manganese Single-molecule Magnets after Ultrafast Photoexcitation

Atomic-scale observation of solvent reorganization influencing photoinduced structural dynamics in a copper complex photosensitizer

Direct Observation of Ultrafast Exciton Localization in an Organic Semiconductor with Soft X-ray Transient Absorption Spectroscopy

A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra

Modelling Molecular Emitters in Organic Light Emitting Diodes with the Quantum Mechanical Bespoke Force Field

Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter

Accurate, Affordable, and Generalisable Machine Learning Simulations of Transition Metal X-ray Absorption Spectra using the XANESNET Deep Neural Network

Ligand-controlled alteration of nuclear trajectories during photoinduced intersystem crossing in bis-meridional Fe(II) complexes

Partial Density of States Representation for Accurate Deep Neural Network Predictions of X-ray Spectra

Rigid and planar π-conjugated molecules leading to long-lived intramolecular charge-transfer states exhibiting thermally activated delayed fluorescence

10 results in Authors: Thomas Penfold