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

29.3k citations

Showing 2021 · math.NAShow all

27 papers · 2 filters

math.NA2021★ 10 cited

Model order reduction strategies for weakly dispersive waves

Davide Torlo, Mario Ricchiuto

We focus on the numerical modelling of water waves by means of depth averaged models. We consider in particular PDE systems which consist in a nonlinear hyperbolic model plus a lin…

math.NA2021★ 7 cited

Randomized block Gram-Schmidt process for solution of linear systems and eigenvalue problems

Oleg Balabanov, Laura Grigori

This article introduces randomized block Gram-Schmidt process (RBGS) for QR decomposition. RBGS extends the single-vector randomized Gram-Schmidt (RGS) algorithm and inherits its k…

math.NA2021★ 1 cited

Computation of the self-diffusion coefficient with low-rank tensor methods: application to the simulation of a cross-diffusion system

Jad Dabaghi, Virginie Ehrlacher, Christoph Strössner

Cross-diffusion systems arise as hydrodynamic limits of lattice multi-species interacting particle models. The objective of this work is to provide a numerical scheme for the simul…

math.NA2021★ 15 cited

Bound-Preserving Finite-Volume Schemes for Systems of Continuity Equations with Saturation

Rafael Bailo, José A. Carrillo, Jingwei Hu

We propose finite-volume schemes for general continuity equations which preserve positivity and global bounds that arise from saturation effects in the mobility function. In the ca…

math.NA2021★ 11 cited

Multi-center decomposition of molecular densities: a mathematical perspective

Robert Benda, Eric Cancès, Virginie Ehrlacher +1

The aim of this paper is to analyze from a mathematical perspective some existing schemes to partition a molecular density into several atomic contributions, with a specific focus…

math.NA2021★ 14 cited

Energy-stable discretization of two-phase flows in deformable porous media with frictional contact at matrix-fracture interfaces

Francesco Bonaldi, Jérôme Droniou, Roland Masson +1

We address the discretization of two-phase Darcy flows in a fractured and deformable porous medium, including frictional contact between the matrix-fracture interfaces. Fractures a…