Luber S - Search Results

1

Machine Learning Interatomic Potentials for Heterogeneous Catalysis.

Tang D, Ketkaew R, Luber S. Tang D, et al. Among authors: luber s. Chemistry. 2024 Oct 28;30(60):e202401148. doi: 10.1002/chem.202401148. Epub 2024 Oct 16. Chemistry. 2024. PMID: 39109600 Review.

2

Photoinduced proton coupled electron transfer in 2-(2'-hydroxyphenyl)-benzothiazole.

Luber S, Adamczyk K, Nibbering ET, Batista VS. Luber S, et al. J Phys Chem A. 2013 Jun 27;117(25):5269-79. doi: 10.1021/jp403342w. Epub 2013 Jun 18. J Phys Chem A. 2013. PMID: 23718689

3

How ab initio Molecular Dynamics Can Change the Understanding on Transition Metal Catalysed Water Oxidation.

Schilling M, Ketkaew R, Luber S. Schilling M, et al. Among authors: luber s. Chimia (Aarau). 2021 Mar 31;75(3):195-201. doi: 10.2533/chimia.2021.195. Chimia (Aarau). 2021. PMID: 33766202 Free article.

4

Water-Assisted Chemical Route Towards the Oxygen Evolution Reaction at the Hydrated (110) Ruthenium Oxide Surface: Heterogeneous Catalysis via DFT-MD and Metadynamics Simulations.

Creazzo F, Luber S. Creazzo F, et al. Among authors: luber s. Chemistry. 2021 Dec 6;27(68):17024-17037. doi: 10.1002/chem.202102356. Epub 2021 Oct 15. Chemistry. 2021. PMID: 34486184 Free PMC article.

5

A Concise Review on Recent Developments of Machine Learning for the Prediction of Vibrational Spectra.

Han R, Ketkaew R, Luber S. Han R, et al. Among authors: luber s. J Phys Chem A. 2022 Feb 17;126(6):801-812. doi: 10.1021/acs.jpca.1c10417. Epub 2022 Feb 8. J Phys Chem A. 2022. PMID: 35133168 Free article. Review.

6

Closer Look at Inverse Electron Demand Diels-Alder and Nucleophilic Addition Reactions on s-Tetrazines Using Enhanced Sampling Methods.

Ketkaew R, Creazzo F, Luber S. Ketkaew R, et al. Among authors: luber s. Top Catal. 2022;65(1-4):1-17. doi: 10.1007/s11244-021-01516-y. Epub 2021 Oct 23. Top Catal. 2022. PMID: 35153451 Free PMC article.

7

Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space.

Ketkaew R, Creazzo F, Luber S. Ketkaew R, et al. Among authors: luber s. J Phys Chem Lett. 2022 Feb 24;13(7):1797-1805. doi: 10.1021/acs.jpclett.1c04004. Epub 2022 Feb 16. J Phys Chem Lett. 2022. PMID: 35171614 Free article.

8

Two Novel Dinuclear Cobalt Polypyridyl Complexes in Electro- and Photocatalysis for Hydrogen Production: Cooperativity Increases Performance.

Weder N, Grundmann NS, Probst B, Blacque O, Ketkaew R, Creazzo F, Luber S, Alberto R. Weder N, et al. Among authors: luber s. ChemSusChem. 2022 Sep 7;15(17):e202201049. doi: 10.1002/cssc.202201049. Epub 2022 Jul 21. ChemSusChem. 2022. PMID: 35765252 Free PMC article.

9

Correction to "Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space".

Ketkaew R, Creazzo F, Luber S. Ketkaew R, et al. Among authors: luber s. J Phys Chem Lett. 2022 Nov 24;13(46):10810. doi: 10.1021/acs.jpclett.2c03379. Epub 2022 Nov 15. J Phys Chem Lett. 2022. PMID: 36378278 No abstract available.

10

DeepCV: A Deep Learning Framework for Blind Search of Collective Variables in Expanded Configurational Space.

Ketkaew R, Luber S. Ketkaew R, et al. Among authors: luber s. J Chem Inf Model. 2022 Dec 26;62(24):6352-6364. doi: 10.1021/acs.jcim.2c00883. Epub 2022 Nov 29. J Chem Inf Model. 2022. PMID: 36445176

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