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MEDRANO SANDONAS Leonardo

Main Referenced Co-authors
Cuniberti, Gianaurelio (3)
Gutierrez, Rafael (3)
TKATCHENKO, Alexandre  (3)
Dianat, Arezoo (2)
Rodríguez Méndez, Alvaro (2)
Main Referenced Keywords
carbon nanomaterials (1); Computational methods (1); Dataset (1); Defects (1); General Physics and Astronomy (1);
Main Referenced Unit & Research Centers
Computational Science Division, Argonne National Laboratory (1)
Department of Chemistry and Chemical Biology, Cornell University (1)
Department of Physics and Materials Science, University of Luxembourg (1)
ULHPC - University of Luxembourg: High Performance Computing (1)
Main Referenced Disciplines
Physics (3)
Materials science & engineering (1)
Chemistry (1)
Physical, chemical, mathematical & earth Sciences: Multidisciplinary, general & others (1)

Publications (total 6)

The most downloaded
171 downloads
Hoja, J., Medrano Sandonas, L., Ernst, B. G., Vazquez-Mayagoitia, A., DiStasio Jr., R. A., & Tkatchenko, A. (02 February 2021). QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules. Scientific Data, 8 (43). doi:10.1038/s41597-021-00812-2 https://hdl.handle.net/10993/46074

The most cited

57 citations (Scopus®)

Stoehr, M., Medrano Sandonas, L., & Tkatchenko, A. (30 July 2020). Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks. Journal of Physical Chemistry Letters, 11 (16), 6835–6843. doi:10.1021/acs.jpclett.0c01307 https://hdl.handle.net/10993/44969

DITTE, M., BARBORINI, M., MEDRANO SANDONAS, L., & TKATCHENKO, A. (30 November 2023). Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators. Physical Review Letters, 131 (22). doi:10.1103/physrevlett.131.228001
Peer Reviewed verified by ORBi

Rodríguez Méndez, A., Medrano Sandonas, L., Dianat, A., Gutierrez, R., & Cuniberti, G. (17 November 2022). Electronic and thermal signatures of phosphorene grain boundaries under uniaxial strain. Physical Review Materials, 6 (114003). doi:10.1103/PhysRevMaterials.6.114003
Peer Reviewed verified by ORBi

Rodríguez Méndez, A., Medrano Sandonas, L., Dianat, A., Gutierrez, R., & Cuniberti, G. (18 June 2021). An Atomistic Study of the Thermoelectric Signatures of CNT Peapods. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 125 (25), 13721–13731. doi:10.1021/acs.jpcc.1c02611
Peer Reviewed verified by ORBi

Medrano Sandonas, L., Rodríguez Méndez, Á., Gutierrez, R., Cuniberti, G., & Mujica, V. (02 March 2021). Nanoscale Phononic Analog of the Ranque-Hilsch Vortex Tube. Physical Review Applied, 15 (034008). doi:10.1103/PhysRevApplied.15.034008
Peer Reviewed verified by ORBi

Hoja, J., Medrano Sandonas, L., Ernst, B. G., Vazquez-Mayagoitia, A., DiStasio Jr., R. A., & Tkatchenko, A. (02 February 2021). QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules. Scientific Data, 8 (43). doi:10.1038/s41597-021-00812-2
Peer Reviewed verified by ORBi

Stoehr, M., Medrano Sandonas, L., & Tkatchenko, A. (30 July 2020). Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks. Journal of Physical Chemistry Letters, 11 (16), 6835–6843. doi:10.1021/acs.jpclett.0c01307
Peer Reviewed verified by ORBi

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