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Metal–organic frameworks

Machine learning heat capacities

As metal–organic frameworks move towards practical application, data for an expanded range of physical properties are needed. Molecular-level modelling and data science can play an important role.

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Fig. 1: Machine learning predictions of MOF heat capacities.


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Correspondence to Randall Q. Snurr.

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Competing interests

R.Q.S. has a financial interest in the start-up company NuMat Technologies, which is commercializing metal–organic frameworks.

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Snurr, R.Q. Machine learning heat capacities. Nat. Mater. (2022).

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