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09/13/2023
Domain decomposition method for Poisson–Boltzmann equations based on Solvent Excluded Surface
In this paper, we develop a domain-decomposition method for the generali...
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07/07/2023
Embedded corrector problems for homogenization in linear elasticity
In this article, we extend the study of embedded corrector problems, tha...
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05/14/2023
A multipoint perturbation formula for eigenvalue problems
Standard perturbation theory of eigenvalue problems consists of obtainin...
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10/10/2022
Numerical stability and efficiency of response property calculations in density functional theory
Response calculations in density functional theory aim at computing the ...
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03/01/2022
Computation of forces arising from the linear Poisson–Boltzmann method in the domain-decomposition paradigm
The Linearized Poisson–Boltzmann (LPB) equation is a popular and widely ...
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10/28/2021
An Optimal Factorization Preconditioner for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains
This paper provides a provably optimal preconditioning strategy of the l...
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09/07/2021
Multi-center decomposition of molecular densities: a mathematical perspective
The aim of this paper is to analyze from a mathematical perspective some...
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07/22/2021
Continuity estimates for Riesz potentials on polygonal boundaries
Riesz potentials are well known objects of study in the theory of singul...
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08/25/2020
Analysis of the Feshbach-Schur method for the planewave discretizations of Schrödinger operators
In this article, we propose a new numerical method and its analysis to s...
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08/10/2020
Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters
This paper presents a posteriori error estimates for conforming numerica...
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06/02/2020
Analysis of the Schwarz domain decomposition method for the conductor-like screening continuum model
We study the Schwarz overlapping domain decomposition method applied to ...
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02/04/2020
A Linear Scaling in Accuracy Numerical Method for Computing the Electrostatic Forces in the N-Body Dielectric Spheres Problem
This article deals with the efficient and accurate computation of the el...
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12/23/2019
On the Scalability of the Parallel Schwarz Method in One-Dimension
In contrast with classical Schwarz theory, recent results in computation...
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11/17/2019
An Integral Equation Formulation of the N-body Dielectric Spheres Problem. Part II: Complexity Analysis
This article is the second in a series of two papers concerning the math...
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11/04/2019
A Discontinuous Galerkin method for Shock Capturing using a mixed high-order and sub-grid low-order approximation space
This article considers a new discretization scheme for conservation laws...
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06/17/2019