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Ruocheng Han - Publications

Affiliations: 
2018-2022 Department of Chemistry Universität Zürich, Zürich, ZH, Switzerland 
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8 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Han R, Luber S, Li Manni G. Magnetic Interactions in a [Co(II)Er(III)(OR)] Model Cubane through Forefront Multiconfigurational Methods. Journal of Chemical Theory and Computation. PMID 37126736 DOI: 10.1021/acs.jctc.2c01318  0.505
2023 Han R, Mattiat J, Luber S. Automatic purpose-driven basis set truncation for time-dependent Hartree-Fock and density-functional theory. Nature Communications. 14: 106. PMID 36609507 DOI: 10.1038/s41467-022-35694-4  0.535
2022 Han R, Rodríguez-Mayorga M, Luber S. Corrections to "A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds". Journal of Chemical Theory and Computation. 19: 373. PMID 36472930 DOI: 10.1021/acs.jctc.2c01110  0.599
2022 Han R, Ketkaew R, Luber S. A Concise Review on Recent Developments of Machine Learning for the Prediction of Vibrational Spectra. The Journal of Physical Chemistry. A. 126: 801-812. PMID 35133168 DOI: 10.1021/acs.jpca.1c10417  0.525
2021 Han R, Rodríguez-Mayorga M, Luber S. A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds. Journal of Chemical Theory and Computation. PMID 33395282 DOI: 10.1021/acs.jctc.0c00898  0.597
2020 Han R, Luber S. Complete active space analysis of a reaction pathway: Investigation of the oxygen-oxygen bond formation. Journal of Computational Chemistry. PMID 32289192 DOI: 10.1002/Jcc.26201  0.477
2020 Han R, Luber S. Trajectory-based machine learning method and its application to molecular dynamics Molecular Physics. 118: e1788189. DOI: 10.1080/00268976.2020.1788189  0.583
2019 Han R, Rempfer K, Zhang M, Dobbek H, Zouni A, Dau H, Luber S. Investigating the Structure and Dynamics of Apo‐Photosystem II Chemcatchem. 11: 4072-4080. DOI: 10.1002/Cctc.201900351  0.48
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