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Dral's Group AI-enhanced computational chemistry | LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

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Tag: ANI

Machine Learning in Chemistry, Method Development, News

Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods

Wudi Yang Apr 14, 2022 Tagged with AIQM1, ANI, JPCL, ML, MLatom, publications

In our work published in the Journal of Physical Chemistry Letters, we investigate the performance of …

Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods Read more →

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