Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium

  • Elizabeth M. Y. Lee
    Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States
  • Thomas Ludwig
    SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States
  • Boyuan Yu
    Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States
  • Aayush R. Singh
    SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States
  • François Gygi
    Department of Computer Science, University of California, Davis, California 95616, United States
  • Jens K. Nørskov
    SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States
  • Juan J. de Pablo
    Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States

書誌事項

公開日
2021-03-17
権利情報
  • https://doi.org/10.15223/policy-029
  • https://doi.org/10.15223/policy-037
  • https://doi.org/10.15223/policy-045
DOI
  • 10.1021/acs.jpclett.1c00195
公開者
American Chemical Society (ACS)

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