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19932026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2014 · math.NAShow all

25 papers · 2 filters

math.NA2014★ 3 cited

Iterative Bregman Projections for Regularized Transportation Problems

Jean-David Benamou, Guillaume Carlier, Marco Cuturi +2

This article details a general numerical framework to approximate so-lutions to linear programs related to optimal transport. The general idea is to introduce an entropic regulariz…

math.NA2014★ 30 cited

A simple Cartesian scheme for compressible multimaterials

Yannick Gorsse, Angelo Iollo, Thomas Milcent +1

We present a simple numerical method to simulate the interaction of two non-miscible compressible materials separated by an interface. The media considered may have significantly d…

math.NA2014

Convergence of finite volumes schemes for the coupling between the inviscid Burgers equation and a particle

Nina Aguillon, Frédéric Lagoutière, Nicolas Seguin

In this paper, we prove the convergence of a class of finite volume schemes for the model of coupling between a Burgers fluid and a pointwise particle introduced in [LST08]. In thi…

math.NA2014★ 5 cited

Periodic homogenization using the Lippmann--Schwinger formalism

Sebastien Brisard, Frederic Legoll

When homogenizing elliptic partial differential equations, the so-called corrector problem is pivotal to compute the macroscale effective coefficients from the microscale informati…

math.NA2014★ 14 cited

Monte Carlo methods for linear and non-linear Poisson-Boltzmann equation

Mireille Bossy, Nicolas Champagnat, Helene Leman +3

The electrostatic potential in the neighborhood of a biomolecule can be computed thanks to the non-linear divergence-form elliptic Poisson-Boltzmann PDE. Dedicated Monte-Carlo meth…

math.NA2014★ 4 cited

Monotone and Consistent discretization of the Monge-Ampere operator

Jean-David Benamou, Francis Collino, Jean-Marie Mirebeau

We introduce a novel discretization of the Monge-Ampere operator, simultaneously consistent and degenerate elliptic, hence accurate and robust in applications. These properties are…