Quantum Chemically Informed Machine Learning: Prediction of...

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Journal of Physical Chemistry A 2020 / 06

Quantum Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-Hydrogen Atoms

Dandu, Naveen K., Ward, Logan, Assary, Rajeev S., Redfern, Paul C., Narayanan, Badri, Foster, Ian T, Curtiss, Larry A.
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Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.0c01777
Date:
June, 2020
File:
PDF, 638 KB
2020
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