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Concept

Modèle de l'électron libre

Publications associées (32)

Multi-machine benchmark of the self-consistent 1D scrape-off layer model DIV1D from stagnation point to target with SOLPS-ITER

Holger Reimerdes

This paper extends a 1D dynamic physics-based model of the scrape-off layer (SOL) plasma, DIV1D, to include the core SOL and possibly a second target. The extended model is benchmarked on 1D mapped SOLPS-ITER simulations to find input settings for DIV1D th ...

Iop Publishing Ltd2024

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Room-Temperature Quantum Optomechanics and Free-Electron Quantum Optics

Guanhao Huang

Quantum optics studies how photons interact with other forms of matter, the understanding of which was crucial for the development of quantum mechanics as a whole. Starting from the photoelectric effect, the quantum property of light has led to the develop ...

EPFL2024

Inter-discharge optimization for fast, reliable access to ASDEX Upgrade advanced tokamak scenario

Olivier Sauter, Federico Alberto Alfredo Felici, Simon Van Mulders, Cassandre Ekta Contré

Rapid inter-discharge simulation and optimization using the RAPTOR code have allowed the development of a reliable and reproducible early heating strategy for an advanced tokamak (AT) scenario on ASDEX Upgrade. Solving for electron heat and current diffusi ...

IOP Publishing Ltd2024

Solvation Free Energies from Machine Learning Molecular Dynamics

Nicola Marzari, Nicéphore Arthur François Bonnet

The present work proposes an extension to the approach of [Xi, C; et al. J. Chem. Theory Comput. 2022, 18, 6878] to calculate ion solvation free energies from first-principles (FP) molecular dynamics (MD) simulations of a hybrid solvation model. The approa ...

Amer Chemical Soc2024

Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features

Luciano Andres Abriata

Cupredoxins are widely occurring copper-binding proteins with a typical Greek-key beta barrel fold. They are generally described as electron carriers that rely on a T1 copper centre coordinated by four ligands provided by the folded polypeptide. The discov ...

Royal Soc Chemistry2024

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

Michael Graetzel, Jovana Milic, Joachim Maier, Algirdas Ducinskas

The understanding of mixed ionic-electronic conductivity in hybrid perovskites has enabled major advances in the development of optoelectronic devices based on this class of materials. While recent investigations revealed the potential of using dimensional ...

Royal Society of Chemistry2024

Unearthing the foundational role of anharmonicity in heat transport in glasses

Paolo Pegolo

The time-honored Allen -Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic broadening of vibrational normal modes. We demonstrate that the harmonic app ...

Amer Physical Soc2024

Electronic transport in graphene with out-of-plane disorder

Oleg Yazyev, Yifei Guan

Real-world samples of graphene often exhibit various types of out-of-plane disorder-ripples, wrinkles and folds-introduced at the stage of growth and transfer processes. These complex out-of-plane defects resulting from the interplay between self-adhesion ...

Nature Portfolio2024

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023

Investigation of thermoelectric nanomaterials

David Thomas Osenberg

Thermoelectric conversion remains an active research field in light of its potential to enhance energy efficiency by waste heat recovery in a noise and wear-free manner. Nanostructuring is responsible for most of the recently reported improvements of the ...

EPFL2023

Controlled Electronic and Magnetic Landscape in Self-Assembled Complex Oxide Heterostructures

Mihai Adrian Ionescu, Paul Muralt, Daesung Park, Kanghyun Chu

Complex oxide heterointerfaces contain a rich playground of novel physical properties and functionalities, which give rise to emerging technologies. Among designing and controlling the functional properties of complex oxide film heterostructures, verticall ...

Wiley-V C H Verlag Gmbh2023

A recipe for cracking the quantum scaling limit with machine learned electron densities

Mario Geiger

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

IOP Publishing Ltd2023

Polariton lasing in AlGaN microring with GaN/AlGaN quantum wells

Nicolas Grandjean, Jean-François Carlin, Raphaël Butté

Microcavity polaritons are strongly interacting hybrid light-matter quasiparticles, which are promising for the development of novel light sources and active photonic devices. Here, we report polariton lasing in the UV spectral range in microring resonator ...

AIP Publishing2023

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

Trapping Layers Prevent Dopant Segregation and Enable Remote Doping of Templated Self-Assembled InGaAs Nanowires

Anna Fontcuberta i Morral, Didem Dede, Nicholas Paul Morgan, Valerio Piazza

Selective area epitaxy is a promising approach to definenanowirenetworks for topological quantum computing. However, it is challengingto concurrently engineer nanowire morphology, for carrier confinement,and precision doping, to tune carrier density. We re ...

AMER CHEMICAL SOC2023

Ultrafast Electron Microscopy of Nanoscale Charge Dynamics in Semiconductors

Fabrizio Carbone, Ivan Madan, Giovanni Maria Vanacore, Simone Gargiulo, Francesco Barantani

The ultrafast dynamics of charge carriers in solids plays a pivotal role in emerging optoelectronics, photonics, energy harvesting, and quantum technology applications. However, the investigation and direct visualization of such nonequilibrium phenomena re ...

AMER CHEMICAL SOC2023

A model of non-Maxwellian electron distribution function for the analysis of ECE data in JET discharges

Javier García Hernández, Mikhail Maslov, Samuele Mazzi

Recent experiments performed in JET at high level of plasma heating, in preparation of, and during the DT campaign have shown significant discrepancies between electron temperature measurements by Thomson Scattering (TS) and Electron Cyclotron Emission (EC ...

E D P SCIENCES2023

Study of backward Brillouin scattering in gas-filled anti-resonant fibers

Luc Thévenaz, Li Zhang, Malak Mohamed Hossameldeen Omar Mohamed Galal

Brillouin scattering in gas shows unmatched gain properties in hollow-core optical fibers filled at high pressure. Here, the gain characteristics are studied for two common gases, namely, N2 and CO2, which show distinct features and are compared to expecte ...

2023

Measuring the electron energy distribution in tokamak plasmas from polarized electron cyclotron radiation

Arsène Stéphane Tema Biwole

In this doctoral thesis, a promising technique has been used for the measurement of non-thermal electrons in TCV. The technique employs a Vertical viewing ECE to more easily discriminate the radiation according to the energy of the electrons. Successful ...

EPFL2023