most citedDesign and Analysis of Machine Learning Exchange-Correlation Functionals via Rotationally Invariant Convolutional Descriptors

86 citations · 86 across the 1 of their papers we have counts for

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physics.chem-ph2019★ 86 cited

Design and Analysis of Machine Learning Exchange-Correlation Functionals via Rotationally Invariant Convolutional Descriptors

Xiangyun Lei, Andrew J. Medford

In this work we explore the potential of a new data-driven approach to the design of exchange-correlation (XC) functionals. The approach, inspired by convolutional filters in compu…