Leonardo Medrano Sandonas

Anisotropic Thermoelectric Response in Two-Dimensional Puckered Structures

Leonardo Medrano Sandonas, David Teich, Rafael Gutiérrez et al. · The Journal of Physical Chemistry C · 2016 · 100 citations

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

Martin Stöhr, Leonardo Medrano Sandonas, Alexandre Tkatchenko · Open Repository and Bibliography (University of Luxembourg) · 2020 · 97 citations · Full text

Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments

Oliver T. Unke, Martin Stöhr, Stefan Ganscha et al. · Science Advances · 2024 · 89 citations · Full text

Engineering, Material Simulation, Molecular Biology +17

Equivariant Graph Neural Networks for Toxicity Prediction

Julian Cremer, Leonardo Medrano Sandonas, Alexandre Tkatchenko et al. · Chemical Research in Toxicology · 2023 · 48 citations · Full text

Geometric Learning, Graph Representation Learning, Machine Learning +22

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

Zhongquan Liao, Leonardo Medrano Sandonas, Tao Zhang et al. · Scientific Reports · 2017 · 35 citations · Full text