Ruocheng Han
Affiliations: | 2018-2022 | Department of Chemistry | Universität Zürich, Zürich, ZH, Switzerland |
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Parents
Sign in to add mentor| Sandra Luber | grad student | 2018- | University of Zurich (UZH) | |
| (Ph.D. Student) | ||||
| Shuhong Yu | grad student | 2013-2013 | University of Science & Technology of China | |
| Tetsuya Hasegawa | grad student | 2015-2016 | The University of Tokyo (Japan) | |
| Sereina Riniker | grad student | 2018-2018 | ETHZ | |
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Publications
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| Han R, Mattiat J, Luber S. (2023) Automatic purpose-driven basis set truncation for time-dependent Hartree-Fock and density-functional theory. Nature Communications. 14: 106 |
| Han R, Rodríguez-Mayorga M, Luber S. (2022) Corrections to "A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds". Journal of Chemical Theory and Computation. 19: 373 |
| Han R, Ketkaew R, Luber S. (2022) A Concise Review on Recent Developments of Machine Learning for the Prediction of Vibrational Spectra. The Journal of Physical Chemistry. A. 126: 801-812 |
| Han R, Rodríguez-Mayorga M, Luber S. (2021) A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds. Journal of Chemical Theory and Computation |
| Han R, Luber S. (2020) Complete active space analysis of a reaction pathway: Investigation of the oxygen-oxygen bond formation. Journal of Computational Chemistry |
| Han R, Luber S. (2020) Trajectory-based machine learning method and its application to molecular dynamics Molecular Physics. 118: e1788189 |
| Han R, Rempfer K, Zhang M, et al. (2019) Investigating the Structure and Dynamics of Apo‐Photosystem II Chemcatchem. 11: 4072-4080 |