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Machine Learning of Semiempirical Parameters

By Pavlo Dral Posted on May 20, 2018 Posted in Featured Publication, News
Machine Learning of Semiempirical Parameters

P. O. Dral, O. A. von Lilienfeld, W. Thiel, Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations. J. Chem. Theory Comput. 2015, 11, 2120–2125. Read more ›

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