R.I. Zubatyuk

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Publications

Citations

3.7K

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Active since

2002

Affiliations

State Scientific Institution “Institute for Single Crystals” of National Academy of Sciences of Ukraine(Current)

National Academy of Sciences of Ukraine

Carnegie Mellon University

Taras Shevchenko National University of Kyiv

Los Alamos National Laboratory

R.I. Zubatyuk is an author at State Scientific Institution “Institute for Single Crystals” of National Academy of Sciences of Ukraine specializing in chemistry, natural sciences, and computational chemistry.

ORCID

Publications per year

2002–2025

Publications

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

Justin S. Smith, Benjamin Nebgen, R.I. Zubatyuk et al. · Nature Communications · 2019 · 655 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens

Christian Devereux, Justin S. Smith, Kate Huddleston et al. · Journal of Chemical Theory and Computation · 2020 · 403 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +16

Accurate and transferable multitask prediction of chemical properties with an atoms-in-molecules neural network

R.I. Zubatyuk, Justin S. Smith, Jerzy Leszczyński et al. · Science Advances · 2019 · 300 citations · Full text

Natural Sciences, Chemistry, Physics +17

The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules

Justin S. Smith, R.I. Zubatyuk, Benjamin Nebgen et al. · Scientific Data · 2020 · 275 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Artificial intelligence-enhanced quantum chemical method with broad applicability

Peikun Zheng, R.I. Zubatyuk, Wei Wu et al. · Nature Communications · 2021 · 135 citations · Full text

Natural Sciences, Chemistry, Physics +17

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