Medrano Sandonas L - Search Results

1

Dithienylethene-Based Single Molecular Photothermal Linear Actuator.

Rashid U, Chatir E, Medrano Sandonas L, Sreelakshmi PA, Dianat A, Gutierrez R, Cuniberti G, Cobo S, Kaliginedi V. Rashid U, et al. Among authors: medrano sandonas l. Angew Chem Int Ed Engl. 2023 Apr 11;62(16):e202218767. doi: 10.1002/anie.202218767. Epub 2023 Mar 6. Angew Chem Int Ed Engl. 2023. PMID: 36752105

2

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.

3

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

4

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

5

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

6

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

7

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.

8

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

9

"Freedom of design" in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties.

Medrano Sandonas L, Hoja J, Ernst BG, Vázquez-Mayagoitia Á, DiStasio RA Jr, Tkatchenko A. Medrano Sandonas L, et al. Chem Sci. 2023 Aug 18;14(39):10702-10717. doi: 10.1039/d3sc03598k. eCollection 2023 Oct 11. Chem Sci. 2023. PMID: 37829035 Free PMC article.

10

Equivariant Graph Neural Networks for Toxicity Prediction.

Cremer J, Medrano Sandonas L, Tkatchenko A, Clevert DA, De Fabritiis G. Cremer J, et al. Among authors: medrano sandonas l. Chem Res Toxicol. 2023 Sep 10;36(10):1561-73. doi: 10.1021/acs.chemrestox.3c00032. Online ahead of print. Chem Res Toxicol. 2023. PMID: 37690056 Free PMC article.

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