662 citations · 854 across the 5 of their papers we have counts for
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physics.chem-ph2014
Understanding Machine-learned Density Functionals
Li Li, John C. Snyder, Isabelle M. Pelaschier +6
Kernel ridge regression is used to approximate the kinetic energy of non-interacting fermions in a one-dimensional box as a functional of their density. The properties of different…
physics.chem-ph2013★ 140 cited
Orbital-free Bond Breaking via Machine Learning
John C. Snyder, Matthias Rupp, Katja Hansen +3
Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic…