Publications of Sina Stocker
All genres
Journal Article (3)
2023
Journal Article
Jung, H., L. Sauerland, S. Stocker, K. Reuter and J. Margraf: Machine-learning driven global optimization of surface adsorbate geometries. npj Computational Materials 9, 114 (2023).
Journal Article
Stocker, S., H. Jung, , C.F. Goldsmith, K. Reuter and J. Margraf: Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration. Journal of Chemical Theory and Computation 19 (19), 6796–6804 (2023).
2022
Journal Article
Stocker, S., , , and J. Margraf: How robust are modern graph neural network potentials in long and hot molecular dynamics simulations? Machine Learning: Science and Technology 3 (4), 045010 (2022).
Thesis - PhD (1)
2022
Thesis - PhD
Stocker, S.: Transferability in chemical machine learning. Technische Universität München