RESEARCH PAPER · npj Computational Materials · 2022
High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration
Andrew Rosen, Victor Fung, Patrick Huck, Cody T. O’Donnell, Matthew K. Horton, Donald G. Truhlar, Kristin Aslaug Persson, Justin M. Notestein, Randall Q. Snurr
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