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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: method development

Machine Learning in Chemistry, News

Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics

Arif Ullah Apr 11, 2022 Tagged with AI, method development, ML, Nat. Commun., publications

In the work published in Nature Communications, we have developed a blazingly fast artificial intelligence (AI)-based …

Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics Read more →

Machine Learning in Chemistry, Method Development, News

MLatom 2: Introducing a Platform for Atomistic Machine Learning

Pavlo Dral Jun 16, 2021 Tagged with method development, ML, MLatom, MLatom release, publications, Top. Curr. Chem.

We are happy to introduce MLatom 2: a major release of our integrative platform for user-friendly …

MLatom 2: Introducing a Platform for Atomistic Machine Learning Read more →

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