15 citations · 25 across the 7 of their papers we have counts for
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Site-Selective Functional Group Classification of Auger-Electron Spectra and Core-Electron Binding Energies with Convolutional Neural Networks
Adam E. A. Fouda
X-ray spectroscopy techniques probe chemical states in systems with atom-site specificity; however, the site-selective characterization of local bond environments in novel research…
Multi-Task Graph Neural Network Predictions of Auger-Electron and X-ray Photoelectron Spectroscopy
Adam E. A. Fouda, Patrick Phillips, Phay J. Ho
Auger-electron spectroscopy has long accompanied x-ray photoelectron spectroscopy as a second modality to resolve chemical states with overlapping core-electron binding energies. H…
Graph Neural Network Predictions of Carbon 1s Binding Energies with Near-Experimental Accuracy
Adam E. A. Fouda, Joshua Zhou, Rodrigo Ferreira +10
Graph neural networks are promising architectures for fast, accurate and transferable predictions of core-electron binding energies, which depend on the local bond environment. Her…
Computation of Auger Electron Spectra in Organic Molecules with Multiconfiguration Pair-Density Functional Theory
Adam E. A. Fouda, Bhavnesh Jangid, Eetu Pelimanni +4
Efficiently and accurately computing molecular Auger electron spectra for larger systems is limited by the increasing complexity of the scaling in the number of doubly ionized fina…
Quantum Molecular Charge-Transfer Model for Multi-step Auger-Meitner Decay Cascade Dynamics
Adam E. A. Fouda, Stephen H. Southworth, Phay J. Ho
The fragmentation of molecular cations following inner-shell decay processes in molecules containing heavy elements underpins the x-ray damage effects observed in x-ray scattering…
Resonant Double-Core Excitations with Ultrafast, Intense Pulses
Adam E. A. Fouda, Dimitris Koulentianos, Linda Young +2
Intense few-to-sub-femtosecond soft x-ray pulses can produce neutral, two-site excited double-core-hole states by promoting two core electrons to the same unoccupied molecular orbi…
Ultraintense, ultrashort pulse x-ray scattering in small molecules
Phay J. Ho, Adam E. A. Fouda, Kai Li +2
We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic…