Machine learning and density functional theory
TL
TL;DR
The rise of machine learning for functional design is discussed and whether this signals the end of human-designed functionals remains to be seen.
Abstract
Over the past decade machine learning has made significant advances in approximating density functionals, but whether this signals the end of human-designed functionals remains to be seen. Ryan Pederson, Bhupalee Kalita and Kieron Burke discuss the rise of machine learning for functional design. Over the past decade machine learning has made significant advances in approximating density functionals, but whether this signals the end of human-designed functionals remains to be seen.
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