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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: JPCC

Materials design with MLatom for ammonia separation and storage
Electronic Structure Calculations, Machine Learning in Chemistry, Method Development, News

Materials design with MLatom for ammonia separation and storage

Pavlo Dral Jul 20, 2022 Tagged with DFT, JPCC, Materials design, ML, MLatom

We used our MLatom package to develop a machine learning approach for designing materials based on mixed metal halides to facilitate ammonia separation and storage.

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