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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2021Show all

165 papers · 1 filter

cond-mat.stat-mech2021★ 8 cited

Thermoelectric generator in endoreversible approximation: the effect of heat-transfer law under finite physical dimensions constraint

Jasleen Kaur, Ramandeep S. Johal, Michel Feidt

We revisit the optimal performance of a thermoelectric generator within the endoreversible approximation, while imposing a finite physical dimensions constraint (FPDC) in the form…

cond-mat.mtrl-sci2021★ 4 cited

Spin current transport in hybrid Pt / multifunctional magnetoelectric Ga0.6Fe1.4O3 bilayers

Suvidyakumar Homkar, Elodie Martin, Benjamin Meunier +11

The low power manipulation of magnetization is currently a highly sought-after objective in spintronics. Non ferromagnetic large spin-orbit coupling heavy metal (NM) / ferromagnet…

quant-ph2021★ 17 cited

Strong-coupling emergence of dark states in XX central spin models

Claude Dimo, Alexandre Faribault

It was recently shown that the XX central spin model is integrable in the presence of a magnetic field perpendicular to the plane in which the coupling exists. A large number of it…

math.PR2021

Transcritical bifurcation for the conditional distribution of a diffusion process

Michel Benaïm, Nicolas Champagnat, William Oçafrain +1

In this article, we describe a simple class of models of absorbed diffusion processes with parameter, whose conditional law exhibits a transcritical bifurcation. Our proofs are bas…

cond-mat.mes-hall2021★ 74 cited

Observation of degenerate zero-energy topological states at disclinations in an acoustic lattice

Yuanchen Deng, Wladimir A. Benalcazar, Ze-Guo Chen +3

Building upon the bulk-boundary correspondence in topological phases of matter, disclinations have recently been harnessed to trap fractionally quantized density of states (DoS) in…

physics.plasm-ph2021★ 8 cited

A new technique for tokamak edge density measurement based on microwave interferometer

Mariia Usoltceva, Stéphane Heuraux, Ildar Khabibullin +1

Novel approach for density measurements at the edge of a hot plasma device is presented - Microwave Interferometer in the Limiter Shadow (MILS). The diagnostic technique is based o…

math.PR2021★ 1 cited

Solving the hyperbolic Anderson model 1: Skorohod setting

Xia Chen, Aurélien Deya, Jian Song +1

This paper is concerned with a wave equation in dimension , with a multiplicative space-time Gaussian noise which is fractional in time and homogeneous in space. W…

hep-th2021★ 8 cited

Meta-Schrödinger invariance

Stoimen Stoimenov, Malte Henkel

The Meta-Schrödinger algebra arises as the dynamical symmetry in transport processes which are ballistic in a chosen `parallel' direction and diffusive and all other `transverse' d…

math.RT2021

On Poisson transforms of differential forms on real hyperbolic spaces

Salem Bensaïd, Abdelhamid Boussejra, Khalid Koufany

This paper is concerned with the Poisson transform of differential forms on the hyperbolic space . Consider an integer such that and l…

math.CO2021★ 3 cited

On a transversal theorem of Montejano and Karasev

Andreas F. Holmsen

We give a new proof of a theorem of Montejano and Karasev regarding -dimensional transversals to small families of convex sets. While their proof uses technical algebraic and to…

cs.SE2021★ 4 cited

Parametric schedulability analysis of a launcher flight control system under reactivity constraints

Étienne André, Emmanuel Coquard, Laurent Fribourg +2

The next generation of space systems will have to achieve more and more complex missions. In order to master the development cost and duration of such systems, an alternative to a…

math.GN2021★ 1 cited

Statures and Sobrification Ranks of Noetherian Spaces

Jean Goubault-Larrecq, Bastien Laboureix

There is a rich theory of maximal order types of well-partial-orders (wpos), pioneered by de Jongh and Parikh (1977) and Schmidt (1981). Every wpo is Noetherian in its Alexandroff…

astro-ph.GA2021★ 12 cited

Properties of globular clusters formed in dark matter mini-halos

Eduardo Vitral, Pierre Boldrini

We seek to differentiate dynamical and morphological attributes between globular clusters (GCs) that were formed inside their own dark matter (DM) mini-halo, and those who were not…

cond-mat.mtrl-sci2021★ 1 cited

Deep Learning for automated phase segmentation in EBSD maps. A case study in Dual Phase steel microstructures

T Martinez Ostormujof, Rrp Purushottam Raj Purohit, S Breumier +3

Electron Backscattering Diffraction (EBSD) provides important information to discriminate phase transformation products in steels. This task is conventionally performed by an exper…

math.PR2021

Stability regions of systems with compatibilities, and ubiquitous measures on graphs

Jocelyn Begeot, Irène Marcovici, Pascal Moyal

This paper addresses the ubiquity of remarkable measures on graphs, and their applications. In many queueing systems, it is necessary to take into account the compatibility constra…

physics.chem-ph2021★ 9 cited

A complex Gaussian approach to molecular photoionization

Abdallah Ammar, Lorenzo Ugo Ancarani, Arnaud Leclerc

We develop and implement a Gaussian approach to calculate partial cross-sections and asymmetry parameters for molecular photoionization. Optimal sets of complex Gaussian-type orbit…

quant-ph2021★ 4 cited

Multicenter integrals involving complex Gaussian type functions

Abdallah Ammar, Arnaud Leclerc, Lorenzo Ugo Ancarani

Multicentric integrals that involve a continuum state cannot be evaluated with the usual quantum chemistry tools and require a special treatment. We consider an initial molecular b…

cs.SD2021★ 1 cited

Detecting acoustic reflectors using a robot's ego-noise

Usama Saqib, Antoine Deleforge, Jesper Jensen

In this paper, we propose a method to estimate the proximity of an acoustic reflector, e.g., a wall, using ego-noise, i.e., the noise produced by the moving parts of a listening ro…

cond-mat.mtrl-sci2021★ 11 cited

Covalent Functionalization of HiPco Single-Walled Carbon Nanotubes: Differences in the Oxidizing Action of H2SO4 and HNO3 during a Soft Oxidation Process

Xavier Devaux, Brigitte Vigolo, Edward Mcrae +7

The results of a study on the evolution of HiPco single-walled carbon nanotubes during the oxidizing action of H2SO4 and HNO3 are presented. The process conditions used have been c…

cond-mat.mtrl-sci2021★ 5 cited

Dose-dependent isotherm of Kr adsorption on heterogeneous bundles of closed single-walled carbon nanotubes

Svetlana Yu Tsareva, Edward Mcrae, Fabrice Valsaque +1

We present 77 K isotherms of krypton adsorption on bundles of closed highly-pure HiPco single-walled carbon nanotubes (SWCNTs). Two volumetric adsorption protocols were used, one w…

eess.SY2021★ 11 cited

Ramp metering: modeling, simulations and control issues

Cédric Join, Hassane Abouaïssa, Michel Fliess

The aim of ramp metering is to improve the highway traffic conditions by an appropriate regulation of the inflow from the on-ramps to the highway mainstream. Our presentation rests…

math.AP2021

On multi-solitons for coupled Lowest Landau Level equations

Laurent Thomann

We consider a coupled system of nonlinear Lowest Landau Level equations. We first show the existence of multi-solitons with an exponentially localised error term in space, and then…

quant-ph2021★ 38 cited

Contextuality and Wigner negativity are equivalent for continuous-variable quantum measurements

Robert I. Booth, Ulysse Chabaud, Pierre-Emmanuel Emeriau

Quantum computers will provide considerable speedups with respect to their classical counterparts. However, the identification of the innately quantum features that enable these sp…

math.AP2021★ 2 cited

Regularity improvement for the minimizers of the two-dimensional Griffith energy

Camille Labourie, Antoine Lemenant

In this paper we prove that the singular set of connected minimizers of the planar Griffith functional has Hausdorff dimension strictly less then one, together with the higher inte…