Leonardo Medrano Sandonas

According to our database, Leonardo Medrano Sandonas authored at least 6 papers between 2019 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Toward the Rational Design of Molecular Field-Coupled Nanocomputing Candidates.

Federico Ravera, Leonardo Medrano Sandonas, Andrea Vezzoli, Yuri Ardesi, Mariagrazia Graziano, Gianluca Piccinini, Gianaurelio Cuniberti

CoRR, May, 2026

Perspective: Towards sustainable exploration of chemical spaces with machine learning.

Leonardo Medrano Sandonas, David Balcells, Anton Bochkarev, Jacqueline M. Cole, Volker L. Deringer, Werner Dobrautz, Adrian Ehrenhofer, Thorben Frank, Pascal Friederich, Rico Friedrich, Janine George, Luca Ghiringhelli, Alejandra Hinostroza Caldas, Veronika Jurásková, Hannes Kneiding, Yury Lysogorskiy, Johannes T. Margraf, Hanna Türk, O. Anatole von Lilienfeld, Milica Todorovic, Alexandre Tkatchenko, Mariana Rossi, Gianaurelio Cuniberti

CoRR, April, 2026

Interpretable Machine Learning for Quantum-Informed Property Predictions in Artificial Sensing Materials.

Li Chen, Leonardo Medrano Sandonas, Shirong Huang, Alexander Croy, Gianaurelio Cuniberti

CoRR, January, 2026

2024

Leveraging Quantum Mechanical Properties to Predict Solvent Effects on Large Drug-Like Molecules.

Mathias Hilfiker, Leonardo Medrano Sandonas, Marco Klähn, Ola Engkvist, Alexandre Tkatchenko

Proceedings of the AI in Drug Discovery - First International Workshop, 2024

2022

Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations.

Oliver T. Unke, Martin Stöhr, Stefan Ganscha, Thomas Unterthiner, Hartmut Maennel, Sergii Kashubin, Daniel Ahlin, Michael Gastegger, Leonardo Medrano Sandonas, Alexandre Tkatchenko, Klaus-Robert Müller

CoRR, 2022

2019

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

Leonardo Medrano Sandonas, Rafael Gutierrez, Alessandro Pecchia, Alexander Croy, Gianaurelio Cuniberti

Entropy, 2019