Milica Todorović

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Kunal Ghosh, Annika Stuke, Milica Todorović et al. · Advanced Science · 2019 · 266 citations · Full text

Natural Sciences, Chemistry, Physics +16

Roadmap on Machine learning in electronic structure

Heather J. Kulik, Thomas Hammerschmidt, Jonathan Schmidt et al. · Electronic Structure · 2022 · 184 citations · Full text

Natural Sciences, Materials Science, Physics +15

Efficient hyperparameter tuning for kernel ridge regression with Bayesian optimization

Annika Stuke, Patrick Rinke, Milica Todorović · 2022 · 102 citations · Full text

Computing, Chemistry, Computational Chemistry +13

Submolecular Imaging by Noncontact Atomic Force Microscopy with an Oxygen Atom Rigidly Connected to a Metallic Probe

Harry Mönig, Diego R. Hermoso, Oscar Díaz Arado et al. · ACS Nano · 2015 · 95 citations

Natural Sciences, Chemistry, Materials Science +17

Updates to the DScribe library: New descriptors and derivatives

Jarno Laakso, Lauri Himanen, Henrietta Homm et al. · The Journal of Chemical Physics · 2023 · 83 citations

Natural Sciences, Chemistry, Materials Science +15