Publikationen von Sina Stocker
Alle Typen
Zeitschriftenartikel (3)
1.
Zeitschriftenartikel
19 (19), S. 6796 - 6804 (2023)
Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration. Journal of Chemical Theory and Computation 2.
Zeitschriftenartikel
9, 114 (2023)
Machine-learning driven global optimization of surface adsorbate geometries. npj Computational Materials 3.
Zeitschriftenartikel
3 (4), 045010 (2022)
How robust are modern graph neural network potentials in long and hot molecular dynamics simulations? Machine Learning: Science and Technology Hochschulschrift - Doktorarbeit (1)
4.
Hochschulschrift - Doktorarbeit
Transferability in chemical machine learning. Dissertation, Technische Universität, München (2022)