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Isayev, Olexandr
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Isayev, Olexandr
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Select result number 1
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ANI-2x-B973c-def2mTZVP ...
by
Huddleston, Kate
,
Zubatyuk, Roman
,
Smith, Justin
,
Roitberg, Adrian
,
Isayev
,
Olexandr
,
Pickering, Ignacio
,
Devereux, Christian
,
Kipton Barros
Published 2024
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Select result number 2
2
ANI-2x-wB97MD3BJ-def2TZVPP ...
by
Huddleston, Kate
,
Zubatyuk, Roman
,
Smith, Justin
,
Roitberg, Adrian
,
Isayev
,
Olexandr
,
Pickering, Ignacio
,
Devereux, Christian
,
Kipton Barros
Published 2024
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Dataset
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Related Subjects
AgPd_NPJ_2021
ColabFit
Dataset
Machine Learning
Materials Science
Research Areas/Atomic & molecular structure/Potential energy surfaces
Research Areas/Electronic structure/Interatomic & molecular potentials
Techniques/Computational Techniques/First-principles calculations
Techniques/Computational Techniques/Machine Learning
Techniques/Computational Techniques/Molecular Dynamics
https//id.loc.gov/authorities/subjects/sh85079324.html
https//id.loc.gov/authorities/subjects/sh85082094.html
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