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Tunable model promoters in DFT simulations of catalysts.
Andrew Mahler
Kassidy Panno
Benjamin G. Janesko
Salvador Moncho
Edward N. Brothers
Published in:
J. Comput. Chem. (2019)
Keyphrases
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computational model
simulation model
formal model
simulation environment
neural network
high level
probabilistic model
statistical model
database
similarity measure
multiresolution
theoretical framework
experimental data