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Jiace Sun

Molecular-orbital-based Machine Learning for Open-shell and Multi-reference Systems with Kernel Addition Gaussian Process Regression

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Jul 17, 2022
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Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning

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May 31, 2022
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Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space

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Apr 21, 2022
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Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Process

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Sep 20, 2021
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