Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

Andrew S. Rosen*, Shaelyn M. Iyer, Debmalya Ray, Zhenpeng Yao, Alán Aspuru-Guzik, Laura Gagliardi, Justin M. Notestein, Randall Q. Snurr

*Corresponding author for this work

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Engineering & Materials Science

Chemical Compounds