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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2015Show all

155 papers · 1 filter

cs.DC2015★ 1 cited

A Constraint-based Approach for Generating Transformation Patterns

Asma Cherif, Abdessamad Imine

Undoing operations is an indispensable feature for many collaborative applications, mainly collaborative editors. It provides the ability to restore a correct state of shared data…

physics.chem-ph2015★ 3 cited

Local random phase approximation with projected oscillator orbitals

Bastien Mussard, Janos Angyan

An approximation to the many-body London dispersion energy in molecular systems is expressed as a functional of the occupied orbitals only. The method is based on the local-RPA the…

math.CV2015

A note on some fiber-integrals

Daniel Barlet

We remark that the study of a fiber-integral of the type F (s) := f =s (/df) (/df) either in the local case where 1 around 0 is C and compac…

math.OA2015★ 17 cited

Analysis on singular spaces: Lie manifolds and operator algebras

Victor Nistor

We discuss and develop some connections between analysis on singular spaces and operator algebras, as presented in my sequence of four lectures at the conference "Noncommutative ge…

math-ph2015

Spectral Analysis of a Model for Quantum Friction

Stephan De Bièvre, Jérémy Faupin, Baptiste Schubnel

An otherwise free classical particle moving through an extended spatially homogeneous medium with which it may exchange energy and momentum will undergo a frictional drag force in…

math.DG2015

Cotangent paths as coisotropic subsets for local functions

Camille Laurent-Gengoux, Yahya Turki

We establish a local function version of a classical result claiming that a bivector field on a manifold is Poisson if and only if cotangent paths form a coisotropic set of the…

cond-mat.stat-mech2015

An alternative order-parameter for non-equilibrium generalized spin models on honeycomb lattices

Francisco Sastre, Malte Henkel

An alternative definition for the order-parameter is proposed, for a family of non-equilibrium spin models with up-down symmetry on honeycomb lattices, and which depends on two par…

cond-mat.stat-mech2015★ 9 cited

Marginal dimensions of the Potts model with invisible states

M. Krasnytska, P. Sarkanych, B. Berche +2

We reconsider the mean-field Potts model with interacting and non-interacting (invisible) states. The model was recently introduced to explain discrepancies between theoret…

math.NA2015★ 58 cited

On the ground states and dynamics of space fractional nonlinear Schrödinger/Gross-Pitaevskii equations with rotation term and nonlocal nonlinear interactions

Xavier Antoine, Qinglin Tang, Yong Zhang

In this paper, we propose some efficient and robust numerical methods to compute the ground states and dynamics of Fractional Schrödinger Equation (FSE) with a rotation term and no…

math.NT2015★ 1 cited

Romanov's Theorem in Number Fields

Manfred G. Madritsch, Stefan Planitzer

Romanov proved that a positive proportion of the integers have a representation as a sum of a prime and a power of an arbitrary fixed positive integer. Rieger proved the analogous…

cond-mat.mtrl-sci2015★ 12 cited

Layer Response Theory: Energetics of layered materials from semi-analytic high-level theory

John F. Dobson, Tim Gould, Sebastien Lebegue

We present a readily computable semi-analytic Layer Response Theory (LRT) for analysis of cohesive energetics involving two-dimensional layers such as BN or graphene. The theory ap…

cond-mat.stat-mech2015★ 141 cited

Inhomogeneous field theory inside the arctic circle

Nicolas Allegra, Jérôme Dubail, Jean-Marie Stéphan +1

Motivated by quantum quenches in spin chains, a one-dimensional toy-model of fermionic particles evolving in imaginary-time from a domain-wall initial state is solved. The main int…

math.AP2015★ 21 cited

GJMS-type Operators on a compact Riemannian manifold: Best constants and Coron-type solutions

Saikat Mazumdar

In this paper we investigate the existence of solutions to a nonlinear elliptic problem involving critical Sobolev exponent for a polyharmonic operator on a Riemannian manifold …

cond-mat.mes-hall2015★ 11 cited

A THz-Vibration to THz-Radiation Converter Based on Gold Nanoobjects: a Feasibility Study

Kamil Moldosanov, Andrei Postnikov

The estimations done confirm a feasibility of the idea that gold nanobars (GNBs) and nanorings (GNRs) irradiated by microwaves could become the terahertz (THz) emitters with photon…

physics.soc-ph2015★ 4 cited

Academic research groups: evaluation of their quality and quality of their evaluation

Bertrand Berche, Yurij Holovatch, Ralph Kenna +1

In recent years, evaluation of the quality of academic research has become an increasingly important and influential business. It determines, often to a large extent, the amount of…

cs.DL2015★ 21 cited

Quantifying the evolution of a scientific topic: reaction of the academic community to the Chornobyl disaster

Olesya Mryglod, Yurij Holovatch, Ralph Kenna +1

We analyze the reaction of academic communities to a particular urgent topic which abruptly arises as a scientific problem. To this end, we have chosen the disaster that occurred i…

astro-ph.EP2015★ 16 cited

Multiple carriers of Q noble gases in primitive meteorites

Yves Marrocchi, Guillaume Avice, Nicolas Estrade

The main carrier of primordial heavy noble gases in chondrites is thought to be an organic phase, known as phase Q, whose precise characterization has resisted decades of investiga…

math.AP2015

Explicit estimates for solutions to higher order elliptic PDEs via Morse index

Foued Mtiri, Abdellaziz Harrabi, Dong Ye

In this paper, we establish and estimates for solutions of some polyharmonic elliptic equations via the Morse index. As far as we know, it seems to be the firs…

math.CV2015★ 3 cited

On a family of pseudohyperbolic disks

Raymond Mortini, Rudolf Rupp

Hyperbolic geometry plays an important role within function theory of the disk. For example, via the Schwarz-Pick Lemma, the isometries of the unit disk with respect to…

math.CV2015

A short proof of Cartan's Nullstellensatz for entire functions in

Raymond Mortini

Using the fact that the maximal ideals in the polydisk algebra are given by the kernels of point evaluations, we derive a simple formula that gives a solution to the Bézout equatio…

math.FA2015★ 3 cited

Reducibility of invertible tuples to the principal component in commutative Banach algebras

Raymond Mortini, Rudolf Rupp

Let be a complex, commutative unital Banach algebra. We introduce two notions of exponential reducibility of Banach algebra tuples and present an analogue to the Corach-Suárez…

cond-mat.stat-mech2015★ 47 cited

On the role of Fourier modes in finite-size scaling above the upper critical dimension

E. J. Flores-Sola, B. Berche, R. Kenna +1

Renormalization-group theory stands, since over 40 years, as one of the pillars of modern physics. As such, there should be no remaining doubt regarding its validity. However, fini…

math-ph2015★ 6 cited

Determinant representation of the domain-wall boundary condition partition function of a Richardson-Gaudin model containing one arbitrary spin

Alexandre Faribault, Hugo Tschirhart, Nicolas Muller

In this work we present a determinant expression for the domain-wall boundary condition partition function of rational (XXX) Richardson-Gaudin models which, in addition to sp…

cs.MM2015

A proposal project for a blind image quality assessment by learning distortions from the full reference image quality assessments

Stéfane Paris

This short paper presents a perspective plan to build a null reference image quality assessment. Its main goal is to deliver both the objective score and the distortion map for a g…