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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: PCCp

Energy-conserving molecular dynamics is not energy conserving!
Electronic Structure Calculations, Machine Learning in Chemistry, Method Development, News

Energy-conserving molecular dynamics is not energy conserving!

Pavlo Dral Aug 25, 2023 Tagged with dynamics, ML, PCCp, publication

Molecular dynamics simulations are widely used to study molecules and materials and lots of effort is …

Energy-conserving molecular dynamics is not energy conserving! Read more →

The themed collection and the editorial on Insightful machine learning for physical chemistry in finalized and published in PCCP
News

The themed collection and the editorial on Insightful machine learning for physical chemistry in finalized and published in PCCP

Pavlo Dral Jul 19, 2023 Tagged with PCCp, publications

Check out the themed collection and our editorial on Insightful machine learning for physical chemistry in …

The themed collection and the editorial on Insightful machine learning for physical chemistry in finalized and published in PCCP Read more →

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