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Experiences with a Grid Gateway Architecture Using Virtual Machines

First International Workshop on Virtualization Technology in Distributed Computing (VTDC 2006), 2006, p.12-12

2006

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Progress in the Theory of X‑ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-05, Vol.125 (20), p.4276-4293

2021

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-05, Vol.124 (21), p.4263-4270

2020

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Ultrafast excited-state dynamics of promising nucleobase ancestor 2,4,6-triaminopyrimidine

Physical chemistry chemical physics : PCCP, 2021-02, Vol.23 (6), p.47-417

Rankine, Conor D

2021

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Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural network

The Journal of chemical physics, 2022-04, Vol.156 (16), p.164102-164102

2022

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The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics

The Journal of chemical physics, 2024-04, Vol.160 (15)

2024

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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, 2023-05, Vol.25 (19), p.13325-13334

2023

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On the analysis of X-ray absorption spectra for polyoxometallates

Chemical physics letters, 2021-10, Vol.780, p.138893, Article 138893

2021

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A deep neural network for valence-to-core X-ray emission spectroscopy

Molecular physics, 2023-04, Vol.121 (7-8)

2023

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Beyond structural insight: a deep neural network for the prediction of Pt L2/3-edge X-ray absorption spectra

Physical chemistry chemical physics : PCCP, 2022-04, Vol.24 (16), p.9156-9167

2022

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Photostability of the deprotonated forms of the UV filters homosalate and octyl salicylate: molecular dissociation versus electron detachment following UV excitation

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (28), p.17068-17076

2022

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Enhancing the analysis of disorder in X-ray absorption spectra: application of deep neural networks to T-jump-X-ray probe experiments

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9259-9269

2021

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Linking Electronic Relaxation Dynamics and Ionic Photofragmentation Patterns for the Deprotonated UV Filter Benzophenone‑4

The journal of physical chemistry letters, 2021-03, Vol.12 (11), p.2831-2836

2021

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Measurement of the Population of Electrosprayed Deprotomers of Coumaric Acids Using UV–Vis Laser Photodissociation Spectroscopy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-08, Vol.125 (31), p.6703-6714

2021

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Quantifying intuition: Bayesian approach to figures of merit in EXAFS analysis of magic size clusters

Nanoscale, 2024-03, Vol.16 (11), p.5768-5775

2024

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Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (26), p.17991-17998

2024

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Structure retrieval in liquid-phase electron scattering

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (2), p.138-1316

2021

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Direct Experimental Observation of in situ Dehydrogenation of an Amine–Borane System Using Gas Electron Diffraction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-08, Vol.123 (32), p.7104-7112

2019

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How effective can optical-CT 3D dosimetry be without refractive fluid matching?

Journal of physics. Conference series, 2013-01, Vol.444 (1), p.12065-4

2013

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A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamics

Physical chemistry chemical physics : PCCP, 2016-10, Vol.18 (39), p.27170-27174

2016

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Structure of 4‑(Dimethylamino)benzonitrile Using Gas Electron Diffraction: A New Lease of Life for the Only Gas Electron Diffractometer in the U.K.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-06, Vol.122 (25), p.5656-5665

2018

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Reprogramming Kinetic Phase Control and Tailoring Pore Environments in CoII and ZnII Metal–Organic Frameworks

Crystal growth & design, 2014-11, Vol.14 (11), p.5710-5718

2014

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On the Utility of 129Xe Gas Exchange Magnetic Resonance Imaging for Assessing, Classifying, and Preventing Fibrotic Lung Diseases

Rankine, Leith John

2021

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How feasible is remote 3D dosimetry for MR guided Radiation Therapy (MRgRT)?

Journal of physics. Conference series, 2017-05, Vol.847 (1), p.12056

2017

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Towards comprehensive characterization of Cs-137 Seeds using PRESAGE® dosimetry with optical tomography

Journal of physics. Conference series, 2013-01, Vol.444 (1), p.12100-4

2013

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Experiences with a Grid Gateway Architecture Using Virtual Machines

Progress in the Theory of X‑ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics

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

Ultrafast excited-state dynamics of promising nucleobase ancestor 2,4,6-triaminopyrimidine

Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural network

The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics

An on-the-fly deep neural network for simulating time-resolved spectroscopy: predicting the ultrafast ring opening dynamics of 1,2-dithiane

On the analysis of X-ray absorption spectra for polyoxometallates

A deep neural network for valence-to-core X-ray emission spectroscopy

Beyond structural insight: a deep neural network for the prediction of Pt L2/3-edge X-ray absorption spectra

Photostability of the deprotonated forms of the UV filters homosalate and octyl salicylate: molecular dissociation versus electron detachment following UV excitation

Enhancing the analysis of disorder in X-ray absorption spectra: application of deep neural networks to T-jump-X-ray probe experiments

Linking Electronic Relaxation Dynamics and Ionic Photofragmentation Patterns for the Deprotonated UV Filter Benzophenone‑4

Measurement of the Population of Electrosprayed Deprotomers of Coumaric Acids Using UV–Vis Laser Photodissociation Spectroscopy

Quantifying intuition: Bayesian approach to figures of merit in EXAFS analysis of magic size clusters

Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction

Structure retrieval in liquid-phase electron scattering

Direct Experimental Observation of in situ Dehydrogenation of an Amine–Borane System Using Gas Electron Diffraction

How effective can optical-CT 3D dosimetry be without refractive fluid matching?

A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamics

Structure of 4‑(Dimethylamino)benzonitrile Using Gas Electron Diffraction: A New Lease of Life for the Only Gas Electron Diffractometer in the U.K.

Reprogramming Kinetic Phase Control and Tailoring Pore Environments in CoII and ZnII Metal–Organic Frameworks

On the Utility of 129Xe Gas Exchange Magnetic Resonance Imaging for Assessing, Classifying, and Preventing Fibrotic Lung Diseases

How feasible is remote 3D dosimetry for MR guided Radiation Therapy (MRgRT)?

Towards comprehensive characterization of Cs-137 Seeds using PRESAGE® dosimetry with optical tomography

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