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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2018Show all

151 papers · 1 filter

math-ph2018★ 1 cited

"Bethe-Ansatz-free" eigenstates of spin-1/2 Richardson-Gaudin integrable models

Alexandre Faribault, Claude Dimo

In this work we construct the eigenstates of the most general spin-1/2 Richardson-Gaudin model integrable in an external magnetic field. This includes the possibility for fully ani…

cs.CY2018★ 4 cited

Toward an Anthropocentric Approach for Hybrid Control Architectures: Case of a Furniture Factory

Etienne Valette, Bril El-Haouzi, Guillaume Demesure +1

Typology of goods and services' consumption has changed. In order to adapt to this change, it is relevant for a company to turn toward new ways of production and management. Slowly…

math.OA2018★ 4 cited

Spectral Theory in a Twisted Groupoid Setting: Spectral Decompositions, Localization and Fredholmness

Marius Mantoiu, Victor Nistor

We study bounded operators defined in terms of the regular representations of the -algebra of an amenable, Hausdorff, second countable locally compact groupoid endowed with a…

astro-ph.EP2018★ 42 cited

Chondrule heritage and thermal histories from trace element and oxygen isotope analyses of chondrules and amoeboid olivine aggregates

Emmanuel Jacquet, Yves Marrocchi

We report combined oxygen isotope and mineral-scale trace element analyses of amoeboid olivine aggregates (AOA) and chondrules in ungrouped carbonaceous chondrite Northwest Africa…

math.ST2018

Rademacher Complexity and Generalization Performance of Multi-category Margin Classifiers

Khadija Musayeva, Fabien Lauer, Yann Guermeur

One of the main open problems in the theory of multi-category margin classification is the form of the optimal dependency of a guaranteed risk on the number C of categories, the sa…

math.PR2018★ 5 cited

On the Itô-Alekseev-Gröbner formula for stochastic differential equations

Anselm Hudde, Martin Hutzenthaler, Arnulf Jentzen +1

In this article we establish a new formula for the difference of a test function of the solution of a stochastic differential equation and of the test function of an Itô process. T…

cs.CR2018★ 11 cited

Exploratory Data Analysis of a Network Telescope Traffic and Prediction of Port Probing Rates

Mehdi Zakroum, Abdellah Houmz, Mounir Ghogho +4

Understanding the properties exhibited by large scale network probing traffic would improve cyber threat intelligence. In addition, the prediction of probing rates is a key feature…

cond-mat.stat-mech2018★ 14 cited

Charge-current correlation equalities for quantum systems far from equilibrium

D. Karevski, G. M. Schütz

We prove that a recently derived correlation equality between conserved charges and their associated conserved currents for quantum systems far from equilibrium [O.A. Castro-Alvare…

math.CO2018★ 24 cited

Colouring triangle-free graphs with local list sizes

Ewan Davies, Rémi de Joannis de Verclos, Ross J. Kang +1

We prove two distinct and natural refinements of a recent breakthrough result of Molloy (and a follow-up work of Bernshteyn) on the (list) chromatic number of triangle-free graphs.…

cs.CY2018★ 10 cited

"Only the Initiates Will Have the Secrets Revealed": Computational Chemists and the Openness of Scientific Software

Alexandre Hocquet, Frédéric Wieber

Computational chemistry is a scientific field within which the computer is a pivotal element. This scientific community emerged in the 1980s and was involved with two major industr…

cs.NI2018★ 14 cited

Towards energy efficient buildings: how ICTs can convert advances?

Michael David, A. Aubry, W. Derigent

This work is a positioning research paper for energy efficient building based on ICT solutions. Through the literature about the solutions for energy control of buildings during op…

cond-mat.mtrl-sci2018★ 17 cited

Single shot time-resolved magnetic x-ray absorption at a Free Electron Laser

Emmanuelle Jal, Mikako Makita, Benedikt Rösner +18

Ultrafast dynamics are generally investigated using stroboscopic pump-probe measurements, which characterize the sample properties for a single, specific time delay. These measurem…

quant-ph2018★ 44 cited

Exact solution of time-dependent Lindblad equations with closed algebras

Stefano Scopa, Gabriel T. Landi, Adam Hammoumi +1

Time-dependent Lindblad master equations have important applications in areas ranging from quantum thermodynamics to dissipative quantum computing. In this paper we outline a gener…

cs.CL2018★ 1 cited

Image-based Natural Language Understanding Using 2D Convolutional Neural Networks

Erinc Merdivan, Anastasios Vafeiadis, Dimitrios Kalatzis +8

We propose a new approach to natural language understanding in which we consider the input text as an image and apply 2D Convolutional Neural Networks to learn the local and global…

eess.SP2018★ 92 cited

Hyperspectral Super-Resolution with Coupled Tucker Approximation: Recoverability and SVD-based algorithms

Clémence Prévost, Konstantin Usevich, Pierre Comon +1

We propose a novel approach for hyperspectral super-resolution, that is based on low-rank tensor approximation for a coupled low-rank multilinear (Tucker) model. We show that the c…

physics.chem-ph2018★ 6 cited

Charge separation: From the topology of molecular electronic transitions to the dye/semiconductor interfacial energetics and kinetics

Thibaud Etienne, Mariachiara Pastore

Charge separation properties, that is the ability of a chromophore, or a chromophore/semiconductor interface, to separate charges upon light absorption, are crucial characteristics…

quant-ph2018★ 12 cited

High-dimensional quantum encoding via photon-subtracted squeezed states

Francesco Arzani, Alessandro Ferraro, Valentina Parigi

We introduce a high-dimensional quantum encoding based on coherent mode-dependent single-photon subtraction from multimode squeezed states. This encoding can be seen as a generaliz…

math.OC2018★ 3 cited

Exact controllability to the ground state solution for evolution equations of parabolic type via bilinear control

Fatiha Alabau-Boussouira, Piermarco Cannarsa, Cristina Urbani

In a separable Hilbert space , we study the linear evolution equation \begin{equation*} u'(t)+Au(t)+p(t)Bu(t)=0, \end{equation*} where is an accretive self-adjoint linear op…

cs.SC2018★ 14 cited

A Fast Randomized Geometric Algorithm for Computing Riemann-Roch Spaces

Aude Le Gluher, Pierre-Jean Spaenlehauer

We propose a probabilistic variant of Brill-Noether's algorithm for computing a basis of the Riemann-Roch space associated to a divisor on a projective nodal plane curve…

cond-mat.mtrl-sci2018★ 35 cited

Charge-spin current conversion in high quality epitaxial Fe/Pt systems: isotropic spin Hall angle along different in-plane crystalline directions

C. Guillemard, S. Petit-Watelot, S. Andrieu +1

We report the growth of MgO[001]//Fe(6 nm)/MgO(7 nm) and MgO[001]//Fe(6 nm)/Pt(6 nm) by molecular beam epitaxy and show that the full characterization by spin-orbit ferromagnetic r…

math.GR2018★ 5 cited

A new lattice invariant for lattices in totally disconnected locally compact groups

Bruno Duchesne, Robin Tucker-Drob, Phillip Wesolek

We introduce and explore a natural rank for totally disconnected locally compact groups called the bounded conjugacy rank. This rank is shown to be a lattice invariant for lattices…

math-ph2018★ 3 cited

Hamiltonian models of interacting fermion fields in Quantum Field Theory

Benjamin Alvarez, Jérémy Faupin, Jean-Claude Guillot

We consider hamiltonian models representing an arbitrary number of spin fermion quantum fields interacting through arbitrary processes of creation or annihilation of particle…

cs.MA2018★ 46 cited

Evolution of holonic control architectures towards Industry 4.0: A short overview

Olivier Cardin, William Derigent, Damien Trentesaux

The flexibility claimed by the next generation production systems induces a deep modification of the behavior and the core itself of the control systems. Overconnectivity and data…

cond-mat.mes-hall2018

Enhanced thermal conductivity in percolating nanocomposites: a molecular dynamics investigation

Konstantinos Termentzidis, Valentina M. Giordano, Maria Katsikini +5

In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for…