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20022015
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2012 · math.APShow all

10 papers · 2 filters

math.AP2012

Design and analysis of a Schwarz coupling method for a dimensionally heterogeneous problem

Manel Tayachi Pigeonnat, Antoine Rousseau, Eric Blayo +2

In the present work, we study and analyze an efficient iterative coupling method for a dimensionally heterogeneous problem . We consider the case of 2-D Laplace equation with non s…

math.AP2012

Small time heat kernel asymptotics at the cut locus on surfaces of revolution

Davide Barilari, Jacek Jendrej

In this paper we investigate the small time heat kernel asymptotics on the cut locus on a class of surfaces of revolution, which are the simplest 2-dimensional Riemannian manifolds…

math.AP20124 cited

Invasion fronts with variable motility: phenotype selection, spatial sorting and wave acceleration

Emeric Bouin, Vincent Calvez, Nicolas Meunier +4

Invasion fronts in ecology are well studied but very few mathematical results concern the case with variable motility (possibly due to mutations). Based on an apparently simple rea…

math.AP2012

Numerical simulation of an energy-transport model for partially quantized particles

Paola Pietra, Nicolas Vauchelet

A coupled quantum-classical model describing the transport of electrons confined in nanoscale semiconductor devices is considered. Using the subband decomposition approach allows t…

math.AP2012

Transparent boundary conditions for locally perturbed infinite hexagonal periodic media

Christophe Besse, Julien Coatleven, Sonia Fliss +2

In this paper, we propose a strategy to determine the Dirichlet-to-Neumann (DtN) operator for infinite, lossy and locally perturbed hexagonal periodic media. We obtain a factorizat…

math.AP2012

Radiation condition at infinity for the high-frequency Helmholtz equation: optimality of a non-refocusing criterion

Aurélien Klak, François Castella

We consider the high frequency Helmholtz equation with a variable refraction index (), supplemented with a given high frequency source term supported near the…