Articles with public access mandates - Leonardo Medrano SandonasLearn more
Not available anywhere: 7
Enhancement of thermal transport properties of asymmetric Graphene/hBN nanoribbon heterojunctions by substrate engineering
LM Sandonas, G Cuba-Supanta, R Gutierrez, A Dianat, CV Landauro, ...
Carbon 124, 642-650, 2017
Mandates: German Research Foundation
Dithienylethene‐Based Single Molecular Photothermal Linear Actuator
U Rashid, E Chatir, L Medrano Sandonas, PA Sreelakshmi, A Dianat, ...
Angewandte Chemie 135 (16), e202218767, 2023
Mandates: Department of Science & Technology, India
An atomistic study of the thermoelectric signatures of CNT peapods
A Rodríguez Méndez, L Medrano Sandonas, A Dianat, R Gutierrez, ...
The Journal of Physical Chemistry C 125 (25), 13721-13731, 2021
Mandates: German Research Foundation
Electronic and thermal signatures of phosphorene grain boundaries under uniaxial strain
Á Rodríguez Méndez, L Medrano Sandonas, A Dianat, R Gutierrez, ...
Physical Review Materials 6 (11), 114003, 2022
Mandates: German Research Foundation
Atomistic Framework for Time-Dependent Thermal Transport
L Medrano Sandonas, A Croy, R Gutierrez, G Cuniberti
The Journal of Physical Chemistry C 122 (36), 21062-21068, 2018
Mandates: German Research Foundation
Mapping the Extended Ground State Reactivity Landscape of a Photoswitchable Molecule at a Single Molecular Level
U Rashid, L Medrano Sandonas, E Chatir, Z Ziani, PA Sreelakshmi, ...
Journal of the American Chemical Society 147 (1), 830-840, 2024
Mandates: Agence Nationale de la Recherche
Functionalization-Induced Local Magnetization in Black Phosphorene
A Rodríguez Méndez, A Dianat, L Medrano Sandonas, R Gutierrez, ...
The Journal of Physical Chemistry C 127 (27), 13157-13166, 2023
Mandates: German Research Foundation
Available somewhere: 31
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
J Hoja, LM Sandonas, BG Ernst, A Vazquez-Mayagoitia, RA DiStasio Jr, ...
Scientific Data 8 (1), 1-11, 2021
Mandates: US Department of Energy, European Commission
Anisotropic Thermoelectric Response in Two-Dimensional Puckered Structures
L Medrano Sandonas, D Teich, R Gutierrez, T Lorenz, A Pecchia, ...
The Journal of Physical Chemistry C 120 (33), 18841-18849, 2016
Mandates: German Research Foundation
Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks
M Stöhr, L Medrano Sandonas, A Tkatchenko
The Journal of Physical Chemistry Letters 11 (16), 6835-6843, 2020
Mandates: European Commission, Luxembourg National Research Fund
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments
OT Unke, M Stöhr, S Ganscha, T Unterthiner, H Maennel, S Kashubin, ...
Science Advances 10 (14), eadn4397, 2024
Mandates: Swiss National Science Foundation, European Commission, Luxembourg National …
Equivariant Graph Neural Networks for Toxicity Prediction
J Cremer, L Medrano Sandonas, A Tkatchenko, DA Clevert, G De Fabritiis
Chemical Research in Toxicology 36 (10), 1561-1573, 2023
Mandates: European Commission
First‐Principle‐Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries
LM Sandonas, H Sevinçli, R Gutierrez, G Cuniberti
Advanced Science 5 (2), 1700365, 2018
Mandates: German Research Foundation
Tuning quantum electron and phonon transport in two-dimensional materials by strain engineering: a Green's function based study
LM Sandonas, R Gutierrez, A Pecchia, G Seifert, G Cuniberti
Physical Chemistry Chemical Physics 19 (2), 1487-1495, 2017
Mandates: German Research Foundation
Engineering thermal rectification in MoS 2 nanoribbons: a non-equilibrium molecular dynamics study
LM Sandonas, R Gutierrez, A Dianat, G Cuniberti
RSC Advances 5 (67), 54345-54351, 2015
Mandates: German Research Foundation
Polymerization driven monomer passage through monolayer chemical vapour deposition graphene
T Zhang, Z Liao, LM Sandonas, A Dianat, X Liu, P Xiao, I Amin, ...
Nature communications 9 (1), 4051, 2018
Mandates: Chinese Academy of Sciences, National Natural Science Foundation of China
Green function, quasi-classical Langevin and Kubo–Greenwood methods in quantum thermal transport
H Sevinçli, S Roche, G Cuniberti, M Brandbyge, R Gutiérrez, ...
Journal of Physics: Condensed Matter 31 (27), 273003, 2019
Mandates: German Research Foundation, Villum Foundation, Government of Spain
Copper induced conformational changes of tripeptide monolayer based impedimetric biosensor
E Mervinetsky, I Alshanski, Y Hamo, LM Sandonas, A Dianat, J Buchwald, ...
Scientific Reports 7 (1), 9498, 2017
Mandates: European Commission
Thermoelectric Properties of Functionalized Graphene Grain Boundaries
LM Sandonas, R Gutierrez, A Pecchia, A Dianat, G Cuniberti
Journal of Self-Assembly and Molecular Electronics 3, 1-20, 2015
Mandates: German Research Foundation
Molecular and Ionic Dipole Effects on the Electronic Properties of Si-/SiO2-Grafted Alkylamine Monolayers
A Gankin, R Sfez, E Mervinetsky, J Buchwald, A Dianat, ...
ACS applied materials & interfaces 9 (51), 44873-44879, 2017
Mandates: German Research Foundation, European Commission
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