Publications

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

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

Abstract: The performance of a Machine Learning (ML) algorithm for chemistry is highly contingent upon the architect’s choice of input representation.

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Modeling Photodissociation: Quantum Dynamics Simulations of Methanol

Modeling Photodissociation: Quantum Dynamics Simulations of Methanol

Abstract: A comprehensive computational study of the gas-phase photodissociation dynamics of methanol is presented.

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List of Publications

The links below take you to the COSMOS page for the paper. DOIs on these pages are linked to the appropriate journal entry page. The bibtex for the paper can be found at the bottom of the page.