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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.
Article73 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.
Preprint73 days agoDeepQMC: An open-source software suite for variational optimization of deep-learning molecular wave functions
Zeno Schätzle, P. Bernát Szabó, Matěj Mezera, Jan Hermann, Frank Noé (2023). DeepQMC: An open-source software suite for variational optimization of deep-learning molecular wave functions. , 159(9), DOI: https://doi.org/10.1063/5.0157512.
Article73 days ago