To address surface reaction network complexity using scaling relations machine learning and DFT calculations
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DOI: 10.1038/ncomms14621
Abstract: Surface reaction networks involving hydrocarbons exhibit enormous complexity with thousands of species and reactions for all but the very simplest of chemistries. We present a framework for optimization under uncertainty for heterogeneous catalysis reaction networks… read more here.
Keywords: network; complexity; scaling relations; address surface ... See more keywords