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  | Tkatchenko, A., & Vassilev Galindo, V. (2021). Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems. Chemical Reviews. doi:10.1021/acs.chemrev.1c00107  Peer Reviewed verified by ORBi |
 | Cordeiro Fonseca, G., Poltavskyi, I., Vassilev Galindo, V., & Tkatchenko, A. (2021). Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning. Journal of Chemical Physics. doi:10.1063/5.0035530 Peer reviewed |
 | Vassilev Galindo, V., Cordeiro Fonseca, G., Poltavskyi, I., & Tkatchenko, A. (2021). Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules. Journal of Chemical Physics. doi:10.1063/5.0038516 Peer reviewed |
 | Huziel E. Sauceda, Vassilev Galindo, V., Stefan Chmiela, Klaus-Robert Müller, & Tkatchenko, A. (2021). Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature. Nature Communications. doi:10.1038/s41467-020-20212-1 Peer Reviewed verified by ORBi |