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Boosting Quantum Machine Learning Models with a Multilevel Combination Technique: Pople Diagrams Revisited

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Zaspel Peter, Huang Bing, Harbrecht Helmut, von Lilienfeld O. Anatole,
Project From atomistic exploration of chemical compound space towards bio-molecular design: Quantum mechanical rational compound design (QM-RCD)
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Original article (peer-reviewed)

Journal Journal of Chemical Theory and Computation
Volume (Issue) 15(3)
Page(s) 1546 - 1559
Title of proceedings Journal of Chemical Theory and Computation
DOI 10.1021/acs.jctc.8b00832