Publications associées à Orbitale atomique

First self-consistent simulations of trapped electron clouds in a gyrotron gun and comparison with experiments

Stefano Alberti, Jean-Philippe Hogge, Joaquim Loizu Cisquella, Jérémy Genoud, Francesco Romano, Ioannis Pagonakis

We report on the initial validation of the novel code FENNECS, which simulates the spontaneous formation of trapped electron clouds in coaxial geometries with strong externally applied azimuthal flows and in the presence of a residual neutral gas. For this ...

2023

Characterisation of detachment in the MAST-U Super-X divertor using multi-wavelength imaging of 2D atomic and molecular emission processes

Basil Duval, Artur Perek, Kevin Henricus Annemarie Verhaegh

In this work, we provide the first 2D spatially resolved description of radiative detachment in MAST-U Super-X L-mode divertor plasmas. The Super-X magnetic configuration was designed to achieve reduced heat- and particle loads at the divertor target compa ...

IOP Publishing Ltd2023

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Changpeng Lin, Hong Zhang, Chen Shen, Yong Zhao

Existing machine learning potentials for predicting phonon properties of crystals are typically limited on a material-to-material basis, primarily due to the exponential scaling of model complexity with the number of atomic species. We address this bottlen ...

NATURE PORTFOLIO2023

Five-Membered Rings Create Off-Zero Modes in Nanographene

Oleg Yazyev, Kristians Cernevics, Ziyi Wang

The low-energy electronic structure of nanographenes can be tuned through zero-energy pi-electron states, typically referred to as zero-modes. Customizable electronic and magnetic structures have been engineered by coupling zero-modes through exchange and ...

Washington2023

Gaia Focused Product Release: Asteroid orbital solution: Properties and assessment

Stephan Morgenthaler, Shuangqing Liao

Context. We report the exploitation of a sample of Solar System observations based on data from the third Gaia Data Release (Gaia DR3) of nearly 157 000 asteroids. It extends the epoch astrometric solution over the time coverage planned for the Gaia DR4, w ...

Les Ulis Cedex A2023

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Ngoc Linh Nguyen, Giovanni Borghi, Riccardo De Gennaro, Andrea Ferretti

Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

Washington2023

Tunnel junction sensing of TATP explosive at the single-molecule level

Helena Miljkovic, Radomir Zikic

Triacetone triperoxide (TATP) is a highly potent homemade explosive commonly used in terrorist attacks. Its detection poses a significant challenge due to its volatility, and the lack of portability of current sensing techniques. To address this issue, we ...

Cambridge2023

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

Michele Ceriotti, Jigyasa Nigam, Michael John Willatt

Symmetry considerations are at the core of the major frameworks used to provide an effective mathematical representation of atomic configurations that is then used in machine-learning models to predict the properties associated with each structure. In most ...

AIP Publishing2022

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Orbitale atomique

First self-consistent simulations of trapped electron clouds in a gyrotron gun and comparison with experiments

Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size

Strain Gradients and Magnetoresistance in Microstructured 3D Topological Semi-metals

Characterisation of detachment in the MAST-U Super-X divertor using multi-wavelength imaging of 2D atomic and molecular emission processes

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Five-Membered Rings Create Off-Zero Modes in Nanographene

Gaia Focused Product Release: Asteroid orbital solution: Properties and assessment

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Tunnel junction sensing of TATP explosive at the single-molecule level

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

Graph Chatbot

Chattez avec Graph Search

Characterisation of detachment in the MAST-U Super-X divertor using multi-wavelength imaging of 2D atomic and molecular emission processes

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size

First self-consistent simulations of trapped electron clouds in a gyrotron gun and comparison with experiments

Gaia Focused Product Release: Asteroid orbital solution: Properties and assessment

Five-Membered Rings Create Off-Zero Modes in Nanographene

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Strain Gradients and Magnetoresistance in Microstructured 3D Topological Semi-metals

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

Tunnel junction sensing of TATP explosive at the single-molecule level