Neural network distillation of orbital dependent density functional theory

Neural network distillation of orbital dependent density functional theory

Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been approximated with increasing levels of complexity ranging from st...

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Bibliographic Details
Main Authors: Matija Medvidović, Jaylyn C. Umana, Iman Ahmadabadi, Domenico Di Sante, Johannes Flick, Angel Rubio
Format: Article
Language:English
Published: American Physical Society 2025-05-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.7.023113
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