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Leonardo Medrano Sandonas

Has grant

Research Associate

Helmholtz-Zentrum Dresden-Rossendorf

Germany

Research Interests

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Professors in Germany Professors in Condensed Matter Physics Condensed Matter Physics professors in Germany

Recent Grants

Grant: Close

Phononics in low dimensional systems

Open Date: 2013-12-01

Close Date:

Grant: Close

Electronic properties of disordered metallic nanoparticles

Open Date: 2010-10-01

Close Date: 2012-06-01

Articles (20)

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Collaborators (11)

Luis Fernando Cofas-Vargas

Profesor visitante

Institute of Fundamental Technological Research

POLAND

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Veerabhadrarao Kaliginedi

Associate Professor

Indian Institute of Science (IISc)

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Alexandre Tkatchenko

Chair of Theoretical Condensed Matter Physics

University of Luxembourg

LUXEMBOURG

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David Balcells

University of Oslo

NORWAY

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Julia Hufenbach

Technische Universität Bergakademie Freiberg

GERMANY

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Andrew Ferguson

Professor

University of Chicago

UNITED STATES

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Stefan Chmiela

Technische Universität Berlin

GERMANY

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Gianaurelio (Giovanni) Cuniberti

Member, Principal Investigator

Technische Universität Dresden

GERMANY

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A. Vezzoli

Personal Chair

University of Liverpool

UNITED KINGDOM

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Adolfo Poma

Assistant Professor

Institute of Fundamental Technological Research

POLAND

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Michael Gastegger

GERMANY

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Leonardo Medrano Sandonas

Research Interests

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Recent Grants

Articles (20)

Toward the Rational Design of Molecular Field-Coupled Nanocomputing Candidates

On-the-fly machine learning of interatomic potentials for elastic property modeling in Al–Mg–Zr solid solutions

Exploring Conformational Transitions of Adenine RNA Dimer via Machine Learning Potentials

Deep Learning Enabled Gas Mixture Discrimination Under Real-time Monitoring

Towards the design of artificial sensing materials via quantum-informed explainable AI

Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations

Optimization Strategies for Equivariant Many-Body ∆TB Potentials in Molecular Simulations

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction

Towards sustainable exploration of chemical spaces with machine learning

Recent advances in machine learning and coarse-grained potentials for biomolecular simulations

Mapping the Extended Ground State Reactivity Landscape of a Photoswitchable Molecule at a Single Molecular Level

Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields

Are nonequilibrium effects relevant for chiral molecule discrimination?

MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics

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

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

Inverse mapping of quantum properties to structures for chemical space of small organic molecules

Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules

Collaborators (11)

Luis Fernando Cofas-Vargas

Veerabhadrarao Kaliginedi

Alexandre Tkatchenko

David Balcells

Julia Hufenbach

Andrew Ferguson

Stefan Chmiela

Gianaurelio (Giovanni) Cuniberti

A. Vezzoli

Adolfo Poma

Michael Gastegger

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