Inverting the Kohn–Sham equations with physics-informed machine learning

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Vincent Martinetto, Karan Shah, Attila Cangi, Aurora Pribram-Jones

Published: 01 Mar 2024, Last Modified: 04 May 2026Machine Learning: Science and TechnologyEveryoneRevisionsCC BY-SA 4.0
Abstract: Inverting the Kohn–Sham equations with physics-informed machine learning, Martinetto, Vincent, Shah, Karan, Cangi, Attila, Pribram-Jones, Aurora