Leonardo Medrano Sandonas

According to our database, Leonardo Medrano Sandonas authored at least 3 papers between 2019 and 2024.

Collaborative distances:

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

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