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With the aim of describing bound and continuum states for diatomic molecules, we develop and implement a spectral method that makes use of Generalized Sturmian Functions (GSF) in prolate spheroidal coordinates. In order to master all…

Atomic and Molecular Clusters · Physics 2021-06-02 D. M. Mitnik , F. A. Lopez , L. U. Ancarani

In recent years, leveraging parallel and distributed computational resources has become essential to solve problems of high computational cost. Bayesian optimization (BO) has shown attractive results in those expensive-to-evaluate problems…

Machine Learning · Statistics 2020-06-25 Masahiro Nomura

A preconditioned, multipole-accelerated, Krylov-subspace iterative algorithm for the electromagnetic scattering analysis of three dimensional (3D), arbitrary shaped dielectric structures composed of single and multi-layered dielectric…

Computational Physics · Physics 2017-04-25 Hamid T. Chorsi

We present a new computational method by extending the Immersed Boundary (IB) method with a spectrally-accurate geometric model based on Radial Basis Function (RBF) interpolation of the Lagrangian structures. Our specific motivation is the…

Numerical Analysis · Mathematics 2015-05-27 Varun Shankar , Grady B. Wright , Robert M. Kirby , Aaron L. Fogelson

This paper introduces a fast and numerically stable algorithm for the solution of fourth-order linear boundary value problems on an interval. This type of equation arises in a variety of settings in physics and signal processing. Our method…

Numerical Analysis · Computer Science 2020-01-13 William Leeb , Vladimir Rokhlin

Based on the perfectly matched layer (PML) technique, this paper develops a high-accuracy boundary integral equation (BIE) solver for acoustic scattering problems in locally defected layered media in both two and three dimensions. The…

Numerical Analysis · Mathematics 2022-11-03 Wangtao Lu , Liwei Xu , Tao Yin , Lu Zhang

The energy required to detach a single particle from a fluid-fluid interface is an important parameter for designing certain soft materials, for example, emulsions stabilised by colloidal particles, colloidosomes designed for targeted drug…

Soft Condensed Matter · Physics 2014-10-29 Gary B. Davies , Timm Krüger , Peter V. Coveney , Jens Harting

We have performed spectral/spectral-element simulations of a single oblate spheroid with small geometrical aspect ratio settling in an unbounded ambient fluid, for a range of Galileo numbers covering the various regimes of motion (steady…

Fluid Dynamics · Physics 2020-11-17 Manuel Moriche , Markus Uhlmann , Jan Dušek

A Nystrom-based high-order (HO) discretization scheme for surface integral equations (SIEs) for analyzing the electroencephalography (EEG) forward problem is proposed in this work. We use HO surface elements and interpolation functions for…

Numerical Analysis · Mathematics 2025-12-05 Rui Chen , Viviana Giunzioni , Adrien Merlini , Francesco P. Andriulli

Recent experimental advances in realizing degenerate quantum dipolar gases in optical lattices and the flexibility of experimental setups in attaining various geometries offer the opportunity to explore exotic quantum many-body phases…

A numerical method for simulation of bubble dynamics in three-dimensional potential flows is presented. The approach is based on the boundary element method for the Laplace equation accelerated via the fast multipole method implemented on a…

Computational Physics · Physics 2019-05-07 Nail A. Gumerov , Yulia A. Pityuk , Olga A. Abramova , Iskander S. Akhatov

We present a boundary integral equation solver for computing Taylor relaxed states in non-axisymmetric solid and shell-like toroidal geometries. The computation of Taylor states in these geometries is a key element for the calculation of…

Numerical Analysis · Mathematics 2019-09-04 Dhairya Malhotra , Antoine Cerfon , Lise-Marie Imbert-Gérard , Michael O'Neil

The immersed boundary method is a numerical and mathematical formulation for solving fluid-structure interaction problems. It relies on solving fluid equations on an Eulerian fluid grid and interpolating the resulting velocity back onto…

Numerical Analysis · Mathematics 2020-03-19 Ondrej Maxian , Charles S. Peskin

Dealing with boundary conditions in Smoothed Particle Hydrodynamics (SPH) poses significant difficulties, indeed being one of the SPHERIC Grand Challenges. In particular, wall boundary conditions have been pivotal in SPH model development…

The Bethe-Salpeter formalism represents the most accurate method available nowadays for computing neutral excitation energies and optical spectra of crystalline systems from first principles. Bethe-Salpeter calculations yield very good…

Materials Science · Physics 2016-05-04 Yannick Gillet , Matteo Giantomassi , Xavier Gonze

Strongly coupled immersed boundary (IB) methods solve the nonlinear fluid and structural equations of motion simultaneously for strongly enforcing the no-slip constraint on the body. Handling this constraint requires solving several large…

Fluid Dynamics · Physics 2021-03-12 Nirmal Jayaprasad Nair , Andres Goza

In this paper, a novel isogeometric method for Biot's consolidation model is constructed and analyzed, using a four-field formulation where the unknown variables are the solid displacement, solid pressure, fluid flux, and fluid pressure.…

Numerical Analysis · Mathematics 2025-02-14 Hanyu Chu , Luca Franco Pavarino

In this work we explore the fidelity of numerical approximations to the analytic spectra of hyperbolic partial differential equation systems with variable coefficients. We are particularly interested in the ability of discrete methods to…

Numerical Analysis · Mathematics 2025-08-12 Brittany A. Erickson

We present a fluctuating boundary integral method (FBIM) for overdamped Brownian Dynamics (BD) of two-dimensional periodic suspensions of rigid particles of complex shape immersed in a Stokes fluid. We develop a novel approach for…

Numerical Analysis · Mathematics 2018-09-26 Yuanxun Bao , Manas Rachh , Eric Keaveny , Leslie Greengard , Aleksandar Donev

In this paper we consider a three-field formulation of the Biot model which has the displacement, the total pressure, and the pore pressure as unknowns. For parameter-robust stability analysis, we first show a priori estimates of the…

Numerical Analysis · Mathematics 2018-07-02 Jeonghun J. Lee
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