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

Machine Learning Metal Organic Frameworks

Publication Details

  • Authors: A. S. Rosen, S. M. Iyer, D. Ray, Z. Yao, A. Aspuru-Guzik, L. Gagliardi, J. M. Notestein, and R. Q. Snurr
  • Publication Number: 387
  • Year: 2021
  • Journal: Matter

Full Citation

A. S. Rosen, S. M. Iyer, D. Ray, Z. Yao, A. Aspuru-Guzik, L. Gagliardi, J. M. Notestein, and R. Q. Snurr, Machine learning the quantum-chemical properties of metal-organic frameworks for accelerated materials discovery, Matter, 2021, 4, 1578–1597. DOI: 10.1016/j.matt.2021.02.015