Publication

On machine learning force fields for metallic nanoparticles

Publications associées (32)

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Supported Co-based catalysts exhibit promising catalytic activities in the oxygen evolution reaction (OER) during alkaline water electrolysis. Surface functionalization of the support modulates the dispersion of the catalysts and their interaction with the ...

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High-throughput generation of large and consistent ab initio data combined with advanced machine-learning techniques are enabling the creation of interatomic potentials of near ab initio quality. This capability has the potential of dramatically impacting ...

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Understanding the behavior of surfactants at interfaces is crucial for many applications in materials science and chemistry. Optical tweezers combined with trajectory analysis can become a powerful tool for investigating surfactant characteristics. In this ...

2023

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Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

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Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in curren ...

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Time-resolved electron microscopy has made significant progress in recent years, with some groups now working on instruments that offer attosecond temporal resolution. While much of the research in the field revolves around the improvement of temporal reso ...

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Magnetic manipulation is a method used for biomedical applications to remotely control micro-robots in a contactless manner. The electromagnet manipulator should control a magnetic field with 3 degrees of freedom inside a region of interest. In various cas ...

Institute of Electrical and Electronics Engineers2023

Visualizing Chiral Interactions in Carbohydrates Adsorbed on Au(111) by High-Resolution STM Imaging

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Carbohydrates are the most abundant organic material on Earth and the structural "material of choice" in many living systems. Nevertheless, design and engineering of synthetic carbohydrate materials presently lag behind that for protein and nucleic acids. ...

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Rotating disk diluter hyphenated with single particle ICP-MS as an online dilution and sampling platform for metallic nanoparticles characterization in ambient aerosol

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2024

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A non-trivial interplay rules the relationship between the structure and the chemophysical properties of a nanoparticle. In this context, characterization experiments, molecular dynamics simulations and electronic structure calculations may allow the varia ...

ROYAL SOC CHEMISTRY2022