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counterpoise correction

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If you are looking for an answer to the question What is Artificial Intelligence? and you only have a minute, then here's the definition the Association for the Advancement of Artificial Intelligence offers on its home page: "the scientific understanding of the mechanisms underlying thought and intelligent behavior and their embodiment in machines."

However, if you are fortunate enough to have more than a minute, then please get ready to embark upon an exciting journey exploring AI (but beware, it could last a lifetime) …

QM/ML: Datasets

#artificialintelligenceJul-22-2019, 16:13:49 GMT

Water dimer (O-O distances 4.5 Å, geometries sampled from a 300 K MD using the AMOEBA forcefield), interaction energies and forces with counterpoise correction, using MP2 / AVDZ, AVTZ, AVQZ (10k, 10k, 1k configurations, respectively).

artificial intelligence, counterpoise correction, machine learning, (11 more...)

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Technology: Information Technology > Artificial Intelligence > Machine Learning (0.42)

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