17 citations · 121 across the 30 of their papers we have counts for
6 papers · 1 filter
Subdiffusive-Brownian crossover in membrane proteins: a Generalized Langevin Equation-based approach
Loris Di Cairano, Benjamin Stamm, Vania Calandrini
In this paper, we propose a Generalized Langevin Equation (GLE)-based model to describe the lateral diffusion of a protein in a lipid bilayer. The memory kernel is represented in t…
Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters
Eric Cancès, Geneviève Dusson, Yvon Maday +2
This paper presents a posteriori error estimates for conforming numerical approximations of eigenvalue clusters of second-order self-adjoint elliptic linear operators with compact…
Analysis of the Feshbach-Schur method for the Fourier Spectral discretizations of Schr{ö}dinger operators
Geneviève Dusson, Israel Sigal, Benjamin Stamm
In this article, we propose a new numerical method and its analysis to solve eigenvalue problems for self-adjoint Schr{ö}dinger operators, by combining the Feshbach-Schur perturbat…
Analysis of the Schwarz domain decomposition method for the conductor-like screening continuum model
Arnold Reusken, Benjamin Stamm
We study the Schwarz overlapping domain decomposition method applied to the Poisson problem on a special family of domains, which by construction consist of a union of a large numb…
An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries
E. Polack, A. Mikhalev, Geneviève Dusson +2
Repeated computations on the same molecular system, but with different geometries, are often performed in quantum chemistry, for instance, in ab-initio molecular dynamics simulatio…
A Linear Scaling in Accuracy Numerical Method for Computing the Electrostatic Forces in the -Body Dielectric Spheres Problem
Muhammad Hassan, Benjamin Stamm
This article deals with the efficient and accurate computation of the electrostatic forces between charged, spherical dielectric particles undergoing mutual polarisation. We use th…