Stuke, Annika
- Atomic structures and orbital energies of 61,489 crystal-forming organic molecules
2020/01/24 by Stuke, Annika, Kunkel, Christian, Golze, Dorothea +5 · 9 citations
#Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Efficient hyperparameter tuning for kernel ridge regression with\n Bayesian optimization
2020/04/01 by Annika Stuke, Stuke, Annika, Patrick Rinke +3 · 1 citation
Chemistry · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning and Data Classification #Machine Learning in Materials Science #Mass Spectrometry Techniques and Applications