Publications

Zaspel, P., Huang, B., Harbrecht, H. und von Lilienfeld, A. O. (2019) «Boosting quantum machine learning models with multi-level combination technique: Pople diagrams revisited», Journal of chemical theory and computation. American Chemical Society, 15(3), S. 1546-1559. doi: 10.1021/acs.jctc.8b00832.   edoc | Open Access
Faber, F. A., Christensen, A. S., Huang, B. und von Lilienfeld, O. A. (2018) «Alchemical and structural distribution based representation for improved QML», Journal of Chemical Physics. AIP Publishing, 148(24), S. 241717. doi: 10.1063/1.5020710.   edoc
Huang, B., Symonds, N. O. und von Lilienfeld, A. (2018) «The fundamentals of quantum machine learning», Handbook of Materials Modeling. Springer, S. 1-27. doi: 10.1007/978-3-319-42913-7_67-1.   edoc
Faber, F. A., Hutchison, L., Huang, B., Gilmer, J., Schoenholz, S. S., Dahl, G. E., Vinyals, O., Kearnes, S., Riley, P. F. und von Lilienfeld, O. A. (2017) «Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error», Journal of Chemical Theory and Computation. American Chemical Society, 13(11), S. 5255-5264. doi: 10.1021/acs.jctc.7b00577.   edoc | Open Access