Thomas J Penfold (Thomas Penfold, T J Penfold)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 38

Top Topics

Energy Transfer

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

The journal of physical chemistry. A

Journal of synchrotron radiation

This page only lists publications with an associated author ORCID identifier.

Publications

Shawana Ahmad, Julien Eng, Thomas J Penfold
Conformational Control of Donor-Acceptor Molecules Using Non-covalent Interactions. The journal of physical chemistry. A (2024)
Joshua D Elliott, Victor A Rogalev, Nigel Wilson, Mihai Duta, Christopher J Reynolds, Jacob Filik, Thomas J Penfold, M Concepción Sánchez
Web-CONEXS: an inroad to theoretical X-ray absorption spectroscopy. Journal of synchrotron radiation (2024)
Kyle Barlow, Ryan Phelps, Julien Eng, Tetsuo Katayama, Erica Sutcliffe, Marco Coletta, Euan K Brechin, Thomas J Penfold, J Olof Johansson
Tracking nuclear motion in single-molecule magnets using femtosecond X-ray absorption spectroscopy. Nature communications 15 (1) (2024)
Thomas Pope, Julien Eng, Andrew P Monkman, Thomas J Penfold
Spin-Vibronic Intersystem Crossing and Molecular Packing Effects in Heavy Atom Free Organic Phosphor. Journal of chemical theory and computation 20 (3) (2024)
Thomas Pope, Julien Eng, Andrew P Monkman, Thomas J Penfold
Spin-Vibronic Intersystem Crossing and Molecular Packing Effects in Heavy Atom Free Organic Phosphor. Journal of chemical theory and computation (2024)
Magda Pascual-Borràs, Elisabetta Arca, Hirofumi Yoshikawa, Thomas J Penfold, Paul G Waddell, R John Errington
Mechanochemical Polyoxometalate Super-Reduction with Lithium Metal. Journal of the American Chemical Society (2024)
Thomas Pope, Julien Eng, Andrew P Monkman, Thomas J Penfold
Spin-Vibronic Intersystem Crossing and Molecular Packing Effects in Heavy Atom Free Organic Phosphor. Journal of chemical theory and computation 20 (3) (2024)
Clelia Middleton, Basile F E Curchod, Thomas J Penfold
Partial density of states representation for accurate deep neural network predictions of X-ray spectra. Physical chemistry chemical physics : PCCP (2024)
Thomas Pope, Julien Eng, Andrew P Monkman, Thomas J Penfold
Spin-Vibronic Intersystem Crossing and Molecular Packing Effects in Heavy Atom Free Organic Phosphor. Journal of chemical theory and computation 20 (3) (2024)
Joshua D Elliott, Victor A Rogalev, Nigel Wilson, Mihai Duta, Christopher J Reynolds, Jacob Filik, Thomas J Penfold, M Concepción Sánchez
Web-CONEXS: an inroad to theoretical X-ray absorption spectroscopy. Journal of synchrotron radiation 31 (Pt 5) (2024)
Kyle Barlow, Ryan Phelps, Julien Eng, Tetsuo Katayama, Erica Sutcliffe, Marco Coletta, Euan K Brechin, Thomas J Penfold, J Olof Johansson
Tracking nuclear motion in single-molecule magnets using femtosecond X-ray absorption spectroscopy. Nature communications 15 (1) (2024)
Clelia Middleton, Conor D Rankine, Thomas J Penfold
An on-the-fly deep neural network for simulating time-resolved spectroscopy: predicting the ultrafast ring opening dynamics of 1,2-dithiane. Physical chemistry chemical physics : PCCP 25 (19) (2023)
Sneha Verma, Nik Khadijah Nik Aznan, Kathryn Garside, Thomas J Penfold
Uncertainty quantification of spectral predictions using deep neural networks. Chemical communications (Cambridge, England) (2023)
Thomas J Penfold, Julien Eng
Mind the GAP: quantifying the breakdown of the linear vibronic coupling Hamiltonian. Physical chemistry chemical physics : PCCP (2023)
Clelia Middleton, Conor D Rankine, Thomas J Penfold
An on-the-fly deep neural network for simulating time-resolved spectroscopy: predicting the ultrafast ring opening dynamics of 1,2-dithiane. Physical chemistry chemical physics : PCCP (2023)
Christopher J Milne, Natalia Nagornova, Thomas Pope, Hui-Yuan Chen, Thomas C Rossi, Jakub Szlachetko, Wojciech Gawelda, Alexander Britz, Tim Brandt van Driel, Leonardo Sala, Simon Ebner, Tetsuo Katayama, Stephen H Southworth, Gilles Doumy, Anne-Marie March, C Stefan Lehmann, Melanie Mucke, Denys Iablonskyi, Yoshiaki Kumagai, Gregor Knopp, Koji Motomura, Tadashi Togashi, Shigeki Owada, Makina Yabashi, Martin Meedom Nielsen, Marek Pajek, Kiyoshi Ueda, Rafael Abela, Thomas J Penfold, Majed Chergui
Disentangling the evolution of electrons and holes in photoexcited ZnO nanoparticles. Structural dynamics (Melville, N.Y.) 10 (6) (2023)
Luke Watson, Thomas Pope, Raphael M Jay, Ambar Banerjee, Philippe Wernet, Thomas J Penfold
A Δ-learning strategy for interpretation of spectroscopic observables. Structural dynamics (Melville, N.Y.) 10 (6) (2023)
Clelia Middleton, Conor D Rankine, Thomas J Penfold
An on-the-fly deep neural network for simulating time-resolved spectroscopy: predicting the ultrafast ring opening dynamics of 1,2-dithiane. Physical chemistry chemical physics : PCCP 25 (19) (2023)
Thomas J Penfold, Julien Eng
Mind the GAP: quantifying the breakdown of the linear vibronic coupling Hamiltonian. Physical chemistry chemical physics : PCCP 25 (10) (2023)
Nathan Hill, Matthew V Cowley, Nadja Gluck, Miriam H Fsadni, Will Clarke, Yinghong Hu, Matthew J Wolf, Noel Healy, Marina Freitag, Thomas J Penfold, Giles Richardson, Alison B Walker, Petra J Cameron, Pablo Docampo
Ionic accumulation as a diagnostic tool in perovskite solar cells: characterising band alignment with rapid voltage pulses. Advanced materials (Deerfield Beach, Fla.) (2023)
Eman A A Alkhudhayr, Dumitru Sirbu, Miriam Fsadni, Benjamin Vella, Bening T Muhammad, Paul G Waddell, Michael R Probert, Thomas J Penfold, Toby Hallam, Elizabeth A Gibson, Pablo Docampo
Improving the Conductivity of Amide-Based Small Molecules through Enhanced Molecular Packing and Their Application as Hole Transport Mediators in Perovskite Solar Cells. ACS applied energy materials 6 (22) (2023)
Osama El-Zubir, Pablo Rojas Martinez, Gema Dura, Lamia L G Al-Mahamad, Thomas Pope, Thomas J Penfold, Lewis E Mackenzie, Robert Pal, Jackie Mosely, Fabio Cucinotta, Liam F McGarry, Benjamin R Horrocks, Andrew Houlton
Circularly polarised luminescence in an RNA-based homochiral, self-repairing, coordination polymer hydrogel. Journal of materials chemistry. C 10 (18) (2022)
Li Wan, Jessica Wade, Francesco Salerno, Oriol Arteaga, Beth Laidlaw, Xuhua Wang, Thomas J Penfold, Matthew John Fuchter, Alasdair J Campbell
Correction to Inverting the Handedness of Circularly Polarized Luminescence from Light-Emitting Polymers Using Film Thickness. ACS nano 16 (6) (2022)
Luke Watson, Conor D Rankine, Thomas J Penfold
Beyond structural insight: a deep neural network for the prediction of Pt L 2/3 -edge X-ray absorption spectra. Physical chemistry chemical physics : PCCP 24 (16) (2022)
Qinying Gu, Florian Chotard, Julien Eng, Antti-Pekka M Reponen, Inigo J Vitorica-Yrezabal, Adam W Woodward, Thomas J Penfold, Dan Credgington, Manfred Bochmann, Alexander S Romanov
Excited-State Lifetime Modulation by Twisted and Tilted Molecular Design in Carbene-Metal-Amide Photoemitters. Chemistry of materials : a publication of the American Chemical Society 34 (16) (2022)
C D Rankine, Thomas J Penfold
Progress in the Theory of X-ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics. The journal of physical chemistry. A 125 (20) (2021)
F Hainer, N Alagna, A Reddy Marri, Thomas J Penfold, Philippe C Gros, S Haacke, Tiago Buckup
Vibrational Coherence Spectroscopy Identifies Ultrafast Branching in an Iron(II) Sensitizer. The journal of physical chemistry letters 12 (35) (2021)
Beth Laidlaw, Julien Eng, Jessica Wade, Xingyuan Shi, Francesco Salerno, Matthew John Fuchter, Thomas J Penfold
On the factors influencing the chiroptical response of conjugated polymer thin films. Chemical communications (Cambridge, England) 57 (77) (2021)
Lupeng Yang, Joshua T Horton, Michael C Payne, Thomas J Penfold, Daniel J Cole
Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field. Journal of chemical theory and computation 17 (8) (2021)
Piotr Pander, Ruth Daniels, Andrey V Zaytsev, Ashleigh Horn, Amit Sil, Thomas J Penfold, J A Gareth Williams, Valery N Kozhevnikov, Fernando B Dias
Exceptionally fast radiative decay of a dinuclear platinum complex through thermally activated delayed fluorescence. Chemical science 12 (17) (2021)
C D Rankine, M M M Madkhali, Thomas J Penfold
A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra. The journal of physical chemistry. A 124 (21) (2020)
Mátyás Pápai, Tamás Rozgonyi, Thomas J Penfold, Martin Meedom Nielsen, Klaus Braagaard Mo Ller
Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics. The Journal of chemical physics 151 (10) (2019)
T Northey, Jesper Norell, A E A Fouda, Nicholas A Besley, Michael Odelius, Thomas J Penfold
Ultrafast nonadiabatic dynamics probed by nitrogen K-edge absorption spectroscopy. Physical chemistry chemical physics : PCCP 22 (5) (2019)
Y Cao, J Eng, Thomas J Penfold
Excited State Intramolecular Proton Transfer Dynamics for Triplet Harvesting in Organic Molecules. The journal of physical chemistry. A 123 (13) (2019)
Julien Eng, Beth A Laidlaw, Thomas J Penfold
On the geometry dependence of tuned-range separated hybrid functionals. Journal of computational chemistry 40 (25) (2019)
Thomas J Penfold, Etienne Gindensperger, Chantal Daniel, Christel M Marian
Spin-Vibronic Mechanism for Intersystem Crossing. Chemical reviews 118 (15) (2018)
J Gibson, Thomas J Penfold
Nonadiabatic coupling reduces the activation energy in thermally activated delayed fluorescence. Physical chemistry chemical physics : PCCP 19 (12) (2018)
Mátyás Pápai, Mats Simmermacher, Thomas J Penfold, Klaus Braagaard Mo Ller, Tamás Rozgonyi
How To Excite Nuclear Wavepackets into Electronically Degenerate States in Spin-Vibronic Quantum Dynamics Simulations. Journal of chemical theory and computation 14 (8) (2018)