Publications by authors named "Adam McSloy"

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Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations.
Pavel Stishenko, Adam McSloy, Berk Onat, Ben Hourahine, Reinhard J Maurer

J Chem Phys· July 2024

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Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States.
Wenbo Sun, Guozheng Fan, Tammo van der Heide, Adam McSloy, Thomas Frauenheim

J Chem Theory Comput· July 2023

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Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine Learning.
Guozheng Fan, Adam McSloy, Bálint Aradi, Chi-Yung Yam, Thomas Frauenheim

J Phys Chem Lett· November 2022

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A computational study of doped olivine structured CdGeO: local defect trapping of interstitial oxide ions.
Adam J McSloy, Paul F Kelly, Peter R Slater, Pooja M Panchmatia

Phys Chem Chem Phys· September 2016

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