Bio
Computational chemist and physicist by training️, who got later hooked on machine learning, and now enjoys integrating deep learning into quantum chemistry. I was born and raised…
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The last 5 uploaded publications
Chemical Space Exploration with Artificial ”Mindless” Molecules
Thomas Gasevic, Marcel Müller, Jonathan Schöps, Stephanie Lanius, Jan Hermann, Stefan Grimme, Andreas Hansen (2025). Chemical Space Exploration with Artificial ”Mindless” Molecules. , DOI: https://doi.org/10.26434/chemrxiv-2025-rdsd0-v2.
Preprint223 days agoChemical Space Exploration with Artificial ”Mindless” Molecules
Thomas Gasevic, Marcel Müller, Jonathan Schöps, Stephanie Lanius, Jan Hermann, Stefan Grimme, Andreas Hansen (2025). Chemical Space Exploration with Artificial ”Mindless” Molecules. , DOI: https://doi.org/10.26434/chemrxiv-2025-rdsd0.
Preprint223 days agoHighly accurate real-space electron densities with neural networks
Lixue Cheng, P. Bernát Szabó, Zeno Schätzle, Derk P. Kooi, Jonas Köhler, Klaas J. H. Giesbertz, Frank Noé, Jan Hermann, Paola Gori‐Giorgi, Adam Foster (2025). Highly accurate real-space electron densities with neural networks. , 162(3), DOI: https://doi.org/10.1063/5.0236919.
Article223 days agoConfiguring thermal ablation volumes for treatment of distinct tumor shapes: a repeatability study using a robotic approach
Milica Bulatović, Jan Hermann, Pascale Tinguely, Iwan Paolucci, Stefan Weber (2024). Configuring thermal ablation volumes for treatment of distinct tumor shapes: a repeatability study using a robotic approach. , 14, DOI: https://doi.org/10.3389/fonc.2024.1463686.
Article223 days agoHighly Accurate Real-space Electron Densities with Neural Networks
Lixue Cheng, P. Bernát Szabó, Zeno Schätzle, Derk P. Kooi, Jonas Köhler, Klaas J. H. Giesbertz, Frank Noé, Jan Hermann, Paola Gori‐Giorgi, Adam Foster (2024). Highly Accurate Real-space Electron Densities with Neural Networks. , DOI: https://doi.org/10.48550/arxiv.2409.01306.
Preprint223 days ago