L
Leo Blooston
Researcher at University of California, Berkeley
Publications - 2
Citations - 132
Leo Blooston is an academic researcher from University of California, Berkeley. The author has contributed to research in topics: Diatomic molecule & Kinetic energy. The author has an hindex of 1, co-authored 2 publications receiving 101 citations.
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Orbital-free bond breaking via machine learning
John C. Snyder,Matthias Rupp,Matthias Rupp,Katja Hansen,Leo Blooston,Klaus-Robert Müller,Klaus-Robert Müller,Kieron Burke +7 more
TL;DR: Using a one-dimensional model, this nonlinear interpolation between Kohn-Sham reference calculations can accurately dissociate a diatomic, be systematically improved with increased reference data and generate accurate self-consistent densities via a projection method that avoids directions with no data.
Journal ArticleDOI
Orbital-free Bond Breaking via Machine Learning
John C. Snyder,Matthias Rupp,Matthias Rupp,Katja Hansen,Leo Blooston,Klaus-Robert Müller,Klaus-Robert Müller,Kieron Burke +7 more
TL;DR: In this paper, the authors used machine learning to approximate the kinetic energy of one-dimensional diatomics as a functional of the electron density, which can accurately dissociate a diatomic, and can be systematically improved with training.