Medrano Sandonas L - Search Results

1

Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green's Function Techniques.

Medrano Sandonas L, Gutierrez R, Pecchia A, Croy A, Cuniberti G. Medrano Sandonas L, et al. Entropy (Basel). 2019 Jul 27;21(8):735. doi: 10.3390/e21080735. Entropy (Basel). 2019. PMID: 33267449 Free PMC article. Review.

2

Doping engineering of thermoelectric transport in BNC heteronanotubes.

Medrano Sandonas L , Cuba-Supanta G , Gutierrez R , Landauro CV , Rojas-Tapia J , Cuniberti G . Medrano Sandonas L , et al. Phys Chem Chem Phys. 2019 Jan 23;21(4):1904-1911. doi: 10.1039/c8cp05592k. Phys Chem Chem Phys. 2019. PMID: 30632565

3

Exploring the write-in process in molecular quantum cellular automata: a combined modelingand first-principle approach.

Santana-Bonilla A, Medrano Sandonas L, Gutierrez R, Cuniberti G. Santana-Bonilla A, et al. Among authors: medrano sandonas l. J Phys Condens Matter. 2019 Oct 9;31(40):405502. doi: 10.1088/1361-648X/ab29c1. Epub 2019 Jun 13. J Phys Condens Matter. 2019. PMID: 31195387

4

Green function, quasi-classical Langevin and Kubo-Greenwood methods in quantum thermal transport.

Sevinçli H, Roche S, Cuniberti G, Brandbyge M, Gutierrez R, Medrano Sandonas L. Sevinçli H, et al. Among authors: medrano sandonas l. J Phys Condens Matter. 2019 Jul 10;31(27):273003. doi: 10.1088/1361-648X/ab119a. Epub 2019 Apr 26. J Phys Condens Matter. 2019. PMID: 31026228

5

In-Situ Stretching Patterned Graphene Nanoribbons in the Transmission Electron Microscope.

Liao Z, Medrano Sandonas L, Zhang T, Gall M, Dianat A, Gutierrez R, Mühle U, Gluch J, Jordan R, Cuniberti G, Zschech E. Liao Z, et al. Among authors: medrano sandonas l. Sci Rep. 2017 Mar 16;7(1):211. doi: 10.1038/s41598-017-00227-3. Sci Rep. 2017. PMID: 28303001 Free PMC article.

6

Molecular and Ionic Dipole Effects on the Electronic Properties of Si-/SiO₂-Grafted Alkylamine Monolayers.

Gankin A, Sfez R, Mervinetsky E, Buchwald J, Dianat A, Medrano Sandonas L, Gutierrez R, Cuniberti G, Yitzchaik S. Gankin A, et al. Among authors: medrano sandonas l. ACS Appl Mater Interfaces. 2017 Dec 27;9(51):44873-44879. doi: 10.1021/acsami.7b12218. Epub 2017 Dec 15. ACS Appl Mater Interfaces. 2017. PMID: 29206026

7

Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks.

Stöhr M, Medrano Sandonas L, Tkatchenko A. Stöhr M, et al. Among authors: medrano sandonas l. J Phys Chem Lett. 2020 Aug 20;11(16):6835-6843. doi: 10.1021/acs.jpclett.0c01307. Epub 2020 Aug 7. J Phys Chem Lett. 2020. PMID: 32787209

8

QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules.

Hoja J, Medrano Sandonas L, Ernst BG, Vazquez-Mayagoitia A, DiStasio RA Jr, Tkatchenko A. Hoja J, et al. Among authors: medrano sandonas l. Sci Data. 2021 Feb 2;8(1):43. doi: 10.1038/s41597-021-00812-2. Sci Data. 2021. PMID: 33531509 Free PMC article.

9

Mapping the Extended Ground State Reactivity Landscape of a Photoswitchable Molecule at a Single Molecular Level.

Rashid U, Medrano Sandonas L, Chatir E, Ziani Z, Sreelakshmi PA, Cobo S, Gutierrez R, Cuniberti G, Kaliginedi V. Rashid U, et al. Among authors: medrano sandonas l. J Am Chem Soc. 2025 Jan 8;147(1):830-840. doi: 10.1021/jacs.4c13531. Epub 2024 Dec 16. J Am Chem Soc. 2025. PMID: 39680608

10

Inverse mapping of quantum properties to structures for chemical space of small organic molecules.

Fallani A, Medrano Sandonas L, Tkatchenko A. Fallani A, et al. Among authors: medrano sandonas l. Nat Commun. 2024 Jul 18;15(1):6061. doi: 10.1038/s41467-024-50401-1. Nat Commun. 2024. PMID: 39025883 Free PMC article.

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