works on

From the 1 of 668 papers with an AI index.

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20022026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2010 · math.NAShow all

6 papers · 2 filters

math.NA2010★ 31 cited

A conservative coupling algorithm between a compressible flow and a rigid body using an Embedded Boundary method

Laurent Monasse, Virginie Daru, Christian Mariotti +2

This paper deals with a new solid-fluid coupling algorithm between a rigid body and an unsteady compressible fluid flow, using an Embedded Boundary method. The coupling with a rigi…

math.NA2010★ 10 cited

Symmetric parareal algorithms for Hamiltonian systems

X. Dai, C. Le Bris, F. Legoll +1

The parareal in time algorithm allows to efficiently use parallel computing for the simulation of time-dependent problems. It is based on a decomposition of the time interval into…

math.NA2010★ 3 cited

Symplectic schemes for highly oscillatory Hamiltonian systems: the homogenization approach beyond the constant frequency case

Matthew Dobson, Claude Le Bris, Frederic Legoll

We follow up on our previous works which presented a possible approach for deriving symplectic schemes for a certain class of highly oscillatory Hamiltonian systems. The approach c…

math.NA2010★ 7 cited

The Spectrum of the Force-Based Quasicontinuum Operator for a Homogeneous Periodic Chain

Matthew Dobson, Christoph Ortner, Alexander V. Shapeev

We show under general conditions that the linearized force-based quasicontinuum (QCF) operator has a positive spectrum, which is identical to the spectrum of the quasinonlocal quas…

math.NA2010

Reduced basis techniques for stochastic problems

Sébastien Boyaval, Claude Le Bris, Tony Lelièvre +3

We report here on the recent application of a now classical general reduction technique, the Reduced-Basis approach initiated in [C. Prud'homme, D. Rovas, K. Veroy, Y. Maday, A. T.…

math.NA2010

Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models

Eric Cancès, Rachida Chakir, Yvon Maday

We provide a priori error estimates for the spectral and pseudospectral Fourier (also called planewave) discretizations of the periodic Thomas-Fermi-von Weizsäcker (TFW) model and…