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We present an efficient and systematically convergent approach to all-electron real-time time-dependent density functional theory (TDDFT) calculations using a mixed basis, termed as enriched finite element (EFE) basis. The EFE basis…

When solving linear systems with nonsymmetric Toeplitz or multilevel Toeplitz matrices using Krylov subspace methods, the coefficient matrix may be symmetrized. The preconditioned MINRES method can then be applied to this symmetrized…

This paper introduces a boundary integral equation for time-harmonic electromagnetic scattering by composite dielectric objects. The formulation extends the classical M\"uller equation to composite structures through the global multi-trace…

This article solves two major tasks that frequently arise in the theory of electron collisions with a target molecular cation. First, it extends the energy-dependent frame transformation treatment(EDFT), which is needed to map fixed-nuclei…

This paper provides a rigorous analysis of boundary element methods for the magnetic field integral equation on Lipschitz polyhedra. The magnetic field integral equation is widely used in practical applications to model electromagnetic…

Precise initial conditions (ICs) are crucial for accurate computation in cosmological perturbation theory. We derive the consistent ICs for Horndeski theory in the Effective Field Theory (EFT) approach, assuming constant EFT functions at…

A methodology for determining the scattered Electromagnetic (EM) fields present for interconnected regions with common metasurface boundaries is presented. The method uses a Boundary Element Method (BEM) formulation of the frequency domain…

We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…

The boundary element method (BEM) is an efficient numerical method for simulating harmonic wave propagation. It uses boundary integral formulations of the Helmholtz equation at the interfaces of piecewise homogeneous domains. The…

Conventional surface integral equation (SIE)-based characteristic mode formulation for the patch antenna structure with a finite substrate is susceptible to the spurious (nonphysical) modes due to the dielectric part. To avoid the…

Electrical impedance tomography (EIT) is highly affected by modeling errors regarding electrode positions and the shape of the imaging domain. In this work, we propose a new inclusion detection technique that is completely independent of…

This paper presents a high-order method for solving an interface problem for the Poisson equation on embedded meshes through a coupled finite element and integral equation approach. The method is capable of handling homogeneous or…

This work studies time-dependent electromagnetic scattering from obstacles whose interaction with the wave is fully determined by a nonlinear boundary condition. In particular, the boundary condition studied in this work enforces a power…

Electromagnetic information theory (EIT) is one of the emerging topics for 6G communication due to its potential to reveal the performance limit of wireless communication systems. For EIT, one of the most important research directions is…

Magneto-static finite element (FE) simulations make numerical optimization of electrical machines very time-consuming and computationally intensive during the design stage. In this paper, we present the application of a hybrid data-and…

Multi-modal data in Earth Observation (EO) presents a huge opportunity for improving transfer learning capabilities when pre-training deep learning models. Unlike prior work that often overlooks multi-modal EO data, recent methods have…

We present a polarizable embedding quantum mechanics/molecular mechanics (QM/MM) framework for ground- and excited-state Complete Active Space Self-Consistent Field (CASSCF) calculations on molecules within complex environments, such as…

We investigate a range of techniques for the acceleration of Calder\'on (operator) preconditioning in the context of boundary integral equation methods for electromagnetic transmission problems. Our objective is to mitigate as far as…

The full-wave simulation of complex electromagnetic surfaces such as reflectarrays and metasurfaces is a challenging problem. In this paper, we present a macromodeling approach to efficiently simulate complex electromagnetic surfaces…

Complex electromagnetic interference increasingly compromises Global Navigation Satellite Systems (GNSS), threatening the reliability of Space-Air-Ground Integrated Networks (SAGIN). Although deep learning has advanced interference…