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2502.05411
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Machine learning-guided construction of an analytic kinetic energy functional for orbital free density functional theory
8 February 2025
Sergei Manzhos
Johann Luder
Manabu Ihara
Manabu Ihara
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Papers citing
"Machine learning-guided construction of an analytic kinetic energy functional for orbital free density functional theory"
5 / 5 papers shown
Title
Degeneration of kernel regression with Matern kernels into low-order polynomial regression in high dimension
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Learning the exchange-correlation functional from nature with fully differentiable density functional theory
M. F. Kasim
S. Vinko
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08 Feb 2021
By-passing the Kohn-Sham equations with machine learning
Felix Brockherde
Leslie Vogt
Li Li
M. Tuckerman
K. Burke
K. Müller
AI4CE
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607
0
09 Sep 2016
Orbital-free Bond Breaking via Machine Learning
John C. Snyder
M. Rupp
K. Hansen
Leo Blooston
K. Müller
K. Burke
93
115
0
07 Jun 2013
Additive Gaussian Processes
David Duvenaud
H. Nickisch
C. Rasmussen
GP
132
331
0
19 Dec 2011
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