review – Dral's Group

Chem. Commun. Feature Article: “AI in computational chemistry through the lens of a decade-long journey”

By Pavlo Dral Posted on March 14, 2024 Posted in Machine Learning in Chemistry, Method Development No Comments Tagged with AI, Chem. Commun., ML, publications, review

My review ‘AI in computational chemistry through the lens of a decade-long journey’ was published open access as an invited Feature Article in Chemical Communication. It gives a perspective on the progress of AI tools in computational chemistry through the …

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Review on Machine Learning for Molecular Excited States

By Pavlo Dral Posted on June 15, 2021 Posted in Machine Learning in Chemistry, News 1 Comment Tagged with excited states, ML, Nat. Rev. Chem., publications, review

In our Review “Molecular excited states through a machine learning lens” in Nature Reviews Chemistry, we provide insights and highlight challenges of the rapidly growing field of machine learning for excited-states simulation and analysis.

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Chem. Commun. Feature Article: “AI in computational chemistry through the lens of a decade-long journey”

Review on Machine Learning for Molecular Excited States