Polino D - Search Results

1

Sampling Real-Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning.

Cioni M, Delle Piane M, Polino D, Rapetti D, Crippa M, Irmak EA, Van Aert S, Bals S, Pavan GM. Cioni M, et al. Among authors: polino d. Adv Sci (Weinh). 2024 Jul;11(25):e2307261. doi: 10.1002/advs.202307261. Epub 2024 Apr 24. Adv Sci (Weinh). 2024. PMID: 38654692 Free PMC article.

2

The role of dynamics in heterogeneous catalysis: Surface diffusivity and N₂ decomposition on Fe(111).

Bonati L, Polino D, Pizzolitto C, Biasi P, Eckert R, Reitmeier S, Schlögl R, Parrinello M. Bonati L, et al. Among authors: polino d. Proc Natl Acad Sci U S A. 2023 Dec 12;120(50):e2313023120. doi: 10.1073/pnas.2313023120. Epub 2023 Dec 7. Proc Natl Acad Sci U S A. 2023. PMID: 38060558 Free PMC article.

3

Machine learning of atomic dynamics and statistical surface identities in gold nanoparticles.

Rapetti D, Delle Piane M, Cioni M, Polino D, Ferrando R, Pavan GM. Rapetti D, et al. Among authors: polino d. Commun Chem. 2023 Jul 5;6(1):143. doi: 10.1038/s42004-023-00936-z. Commun Chem. 2023. PMID: 37407706 Free PMC article.

4

Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments.

Cioni M, Polino D, Rapetti D, Pesce L, Delle Piane M, Pavan GM. Cioni M, et al. Among authors: polino d. J Chem Phys. 2023 Mar 28;158(12):124701. doi: 10.1063/5.0139010. J Chem Phys. 2023. PMID: 37003771

5

How Collective Phenomena Impact CO₂ Reactivity and Speciation in Different Media.

Polino D, Grifoni E, Rousseau R, Parrinello M, Glezakou VA. Polino D, et al. J Phys Chem A. 2020 May 21;124(20):3963-3975. doi: 10.1021/acs.jpca.9b11744. Epub 2020 May 14. J Phys Chem A. 2020. PMID: 32302131

6

Kinetics of Aqueous Media Reactions via Ab Initio Enhanced Molecular Dynamics: The Case of Urea Decomposition.

Polino D, Parrinello M. Polino D, et al. J Phys Chem B. 2019 Aug 8;123(31):6851-6856. doi: 10.1021/acs.jpcb.9b05271. Epub 2019 Jul 30. J Phys Chem B. 2019. PMID: 31286763

7

The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study.

Rizzi V, Polino D, Sicilia E, Russo N, Parrinello M. Rizzi V, et al. Among authors: polino d. Angew Chem Int Ed Engl. 2019 Mar 18;58(12):3976-3980. doi: 10.1002/anie.201900134. Epub 2019 Feb 18. Angew Chem Int Ed Engl. 2019. PMID: 30689299

8

Revealing the role of phosphoric acid in all-vanadium redox flow batteries with DFT calculations and in situ analysis.

Oldenburg FJ , Bon M , Perego D , Polino D , Laino T , Gubler L , Schmidt TJ . Oldenburg FJ , et al. Among authors: polino d. Phys Chem Chem Phys. 2018 Sep 19;20(36):23664-23673. doi: 10.1039/c8cp04517h. Phys Chem Chem Phys. 2018. PMID: 30191209

9

Identifying Slow Molecular Motions in Complex Chemical Reactions.

Piccini G, Polino D, Parrinello M. Piccini G, et al. Among authors: polino d. J Phys Chem Lett. 2017 Sep 7;8(17):4197-4200. doi: 10.1021/acs.jpclett.7b01889. Epub 2017 Aug 22. J Phys Chem Lett. 2017. PMID: 28829135

10

Combustion chemistry via metadynamics: benzyl decomposition revisited.

Polino D, Parrinello M. Polino D, et al. J Phys Chem A. 2015 Feb 12;119(6):978-89. doi: 10.1021/jp5118807. Epub 2015 Jan 28. J Phys Chem A. 2015. PMID: 25587630

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