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The last 5 uploaded publications
Highly 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.
Article222 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.
Preprint222 days agoAn ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
Adam Foster, Zeno Schätzle, P. Bernát Szabó, Lixue Cheng, Jonas Köhler, Gino Cassella, Nicholas Gao, Jiawei Li, Frank Noé, Jan Hermann (2025). An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking. , DOI: https://doi.org/10.48550/arxiv.2506.19960.
Preprint20 days ago