Sandra Luber
Affiliations: | Chemistry | Yale University, New Haven, CT |
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Parents
Sign in to add mentor| Markus Reiher | grad student | ETH Zürich | |
| Victor S. Batista | post-doc | Yale | |
| Jürg Hutter | post-doc | Universität Zürich (Physics Tree) |
Children
Sign in to add trainee| Ruocheng Han | grad student | 2018- | University of Zurich (UZH) |
| Rangsiman Ketkaew | grad student | 2020- | University of Zurich (UZH) |
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Publications
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| Plainpan N, Ketkaew R, Luber S, et al. (2023) Enabling Direct Photoelectrochemical H₂ Production using Alternative Oxidation Reactions on WO₃. Chimia. 77: 110-115 |
| Han R, Luber S, Li Manni G. (2023) Magnetic Interactions in a [Co(II)Er(III)(OR)] Model Cubane through Forefront Multiconfigurational Methods. Journal of Chemical Theory and Computation |
| 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 |
| Ketkaew R, Luber S. (2022) DeepCV: A Deep Learning Framework for Blind Search of Collective Variables in Expanded Configurational Space. Journal of Chemical Information and Modeling. 62: 6352-6364 |
| Ketkaew R, Creazzo F, Luber S. (2022) Correction to "Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space". The Journal of Physical Chemistry Letters. 10810 |
| Weder N, Grundmann NS, Probst B, et al. (2022) Two Novel Dinuclear Cobalt Polypyridyl Complexes in Electro- and Photocatalysis for Hydrogen Production: Cooperativity increases Performance. Chemsuschem |
| Ketkaew R, Creazzo F, Luber S. (2022) Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space. The Journal of Physical Chemistry Letters. 13: 1797-1805 |
| 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 |
| Ketkaew R, Creazzo F, Luber S. (2021) Closer Look at Inverse Electron Demand Diels-Alder and Nucleophilic Addition Reactions on -Tetrazines Using Enhanced Sampling Methods. Topics in Catalysis. 65: 1-17 |