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Home › Posts tagged JPCC

Tag: JPCC

Materials design with MLatom for ammonia separation and storage

By Pavlo Dral Posted on July 20, 2022 Posted in Electronic Structure Calculations, Machine Learning in Chemistry, Method Development, News No Comments 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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