フォロー
Sina Stocker
Sina Stocker
Fritz-Haber-Institut der Max-Planck-Gesellschaft
確認したメール アドレス: fhi.mpg.de
タイトル
引用先
引用先
年
Machine learning in chemical reaction space
S Stocker, G Csanyi, K Reuter, JT Margraf
Nature communications 11 (1), 5505, 2020
1602020
How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?
S Stocker, J Gasteiger, F Becker, S Günnemann, JT Margraf
Machine Learning: Science and Technology 3 (4), 045010, 2022
892022
Size‐Extensive Molecular Machine Learning with Global Representations
H Jung, S Stocker, C Kunkel, H Oberhofer, B Han, K Reuter, JT Margraf
ChemSystemsChem 2 (4), e1900052, 2020
392020
Machine-learning driven global optimization of surface adsorbate geometries
H Jung, L Sauerland, S Stocker, K Reuter, JT Margraf
npj Computational Materials 9 (1), 114, 2023
312023
Estimating free energy barriers for heterogeneous catalytic reactions with machine learning potentials and umbrella integration
S Stocker, H Jung, G Csányi, CF Goldsmith, K Reuter, JT Margraf
Journal of Chemical Theory and Computation 19 (19), 6796-6804, 2023
192023
Machine-Learning Driven Exploration of Catalytic Reaction Networks
H Jung
2023 AIChE Annual Meeting, 2023
2023
Transferability in Chemical Machine Learning
S Stocker
Technische Universität München, 2022
2022
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