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Robert A. DiStasio Jr — most-cited papers & profile · AI for Science
← authors
·
overview
Robert A. DiStasio Jr
7
papers ·
248
citations
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Semantic Scholar ↗
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Most-cited papers
QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
2020 · 122 citations
Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
2020 · 110 citations
Roadmap on Advancements of the FHI-aims Software Package
2025 · 14 citations
Accurate molecular polarizabilities with coupled-cluster theory and machine learning
2018 · 1 citations
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning
2017 · 1 citations
Reliable and Practical Computational Prediction of Molecular Crystal Polymorphs
2018
Isotope Effects in Liquid Water via Deep Potential Molecular Dynamics
2019
Top co-authors
Alexandre Tkatchenko
· 2
Alexandre Tkatchenko
· 2
Han Wang
· 2
Hsin-Yu Ko
· 2
Johannes Hoja
· 2
Michele Ceriotti
· 2
Akhil S. Nair
· 1
Alaa Akkoush
· 1
Alan Lewis
· 1
Alastair J. A. Price
· 1
Alberto Ambrosetti
· 1
Alberto Garcia
· 1
Topics
Chemistry
Materials
Physics ML
Drug Discovery