Randall Q Snurr

2PUBLICATIONS
7CO-AUTHORS
Computational chemistryMetal organic frameworks
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Publications (2)

|Jul 09, 2021
Machine learning using host/guest energy histograms to predict adsorption in metal-organic frameworks: Application to short alkanes and Xe/Kr mixtures.

Zhao Li, Benjamin J Bucior, Haoyuan Chen

|Jun 15, 2020
Comparing GGA, GGA+U, and meta-GGA functionals for redox-dependent binding at open metal sites in metal-organic frameworks.

Andrew S Rosen, Justin M Notestein, Randall Q Snurr

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Frequent Collaborators

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Andrew S Rosen

1 joint publications

Justin M Notestein

1 joint publications

Zhao Li

1 joint publications

Benjamin J Bucior