Leonardo Medrano Sandonas

Scopus Author ID Scopus Author ID GND ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 15

Top Venues

Nature communications

Scientific data

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

University of Luxembourg

Technische Universität Dresden (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Luxembourg Feb 01 2019

Luxembourg

Postdoctoral researcher :: Physics and Materials Science Research Unit

Center for Advancing Electronics Dresden Jul 01 2018 - Jan 31 2019

Germany

Research assistant

Education History

Technische Universität Dresden Dec 01 2013 - Jun 30 2018

Germany

PHD :: Mechanical Engineering and Max Planck Institute for the Physics of Complex Systems

Universidad Nacional Mayor de San Marcos Apr 01 2010 - Jun 01 2012

Peru

MSC :: Faculty of Physical Sciences

Universidad Nacional Mayor de San Marcos Apr 01 2005 - Feb 01 2010

Peru

BSC :: Faculty of Physical Sciences

Publications

Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker, David Hahn, Laura Perez-Benito, Jonas Verhoeven, Gary John Tresadern, Joerg Kurt Wegner, Hugo Ceulemans, Alexandre Tkatchenko
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules. Scientific data 11 (1) (2024)
Oliver T Unke, Martin Stöhr, Stefan Ganscha, Thomas Unterthiner, Hartmut Maennel, Sergii Kashubin, Daniel Ahlin, Michael Gastegger, Leonardo Medrano Sandonas, Joshua T Berryman, Alexandre Tkatchenko, Klaus-Robert Müller
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments. Science advances 10 (14) (2024)
Alessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Inverse mapping of quantum properties to structures for chemical space of small organic molecules. Nature communications 15 (1) (2024)
Alessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Inverse mapping of quantum properties to structures for chemical space of small organic molecules. Nature communications 15 (1) (2024)
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker, David Hahn, Laura Perez-Benito, Jonas Verhoeven, Gary John Tresadern, Joerg Kurt Wegner, Hugo Ceulemans, Alexandre Tkatchenko
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules. Scientific data 11 (1) (2024)
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker, David Hahn, Laura Perez-Benito, Jonas Verhoeven, Gary John Tresadern, Joerg Kurt Wegner, Hugo Ceulemans, Alexandre Tkatchenko
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules. Scientific data 11 (1) (2024)
Alessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Inverse mapping of quantum properties to structures for chemical space of small organic molecules. Nature communications 15 (1) (2024)
Szabolcs Góger, Leonardo Medrano Sandonas, Carolin Müller, Alexandre Tkatchenko
Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space. Physical chemistry chemical physics : PCCP (2023)
Julian Cremer, Leonardo Medrano Sandonas, Alexandre Tkatchenko, Djork-Arné Clevert, Gianni De Fabritiis
Equivariant Graph Neural Networks for Toxicity Prediction. Chemical research in toxicology (2023)
Umar Rashid, Elarbi Chatir, Leonardo Medrano Sandonas, P A Sreelakshmi, Arezoo Dianat, Rafael Gutierrez, Gianaurelio Cuniberti, Saioa Cobo, Veerabhadrarao Kaliginedi
Dithienylethene-Based Single Molecular Photothermal Linear Actuator. Angewandte Chemie (International ed. in English) (2023)
Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst, Álvaro Vázquez-Mayagoitia, Robert A DiStasio, Alexandre Tkatchenko
"Freedom of design" in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties. Chemical science 14 (39) (2023)
Martin Stöhr, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks. The journal of physical chemistry letters 11 (16) (2020)
Leonardo Medrano Sandonas, Rafael Gutiérrez, Alessandro Pecchia, Gianaurelio Cuniberti, Gianaurelio Cuniberti
Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green's Function Techniques. Entropy (Basel, Switzerland) 21 (8) (2019)
Tao Zhang, Zhongquan Liao, Leonardo Medrano Sandonas, Arezoo Dianat, Xiaoling Liu, Peng Xiao, Ihsan Amin, Rafael Gutierrez, Tao Chen, Ehrenfried Zschech, Gianaurelio Cuniberti, Rainer Jordan
Polymerization driven monomer passage through monolayer chemical vapour deposition graphene. Nature communications 9 (1) (2018)
Leonardo Medrano Sandonas, Hâldun Sevinçli, Rafael Gutiérrez, Gianaurelio Cuniberti
First-Principle-Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 5 (2) (2018)

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Publication Activity (10 Years)

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Leonardo Medrano Sandonas