RESEARCH PAPER · Nature Reviews Chemistry · 2022
Extending machine learning beyond interatomic potentials for predicting molecular properties
Nikita S. Fedik, R.I. Zubatyuk, Maksim Kulichenko, Nicholas Lubbers, Justin S. Smith, Benjamin T. Nebgen, Richard A. Messerly, Ying Wai Li, Alexander I. Boldyrev, Kipton M. Barros, Olexandr Isayev, Sergei Tretiak
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