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We show that spherical truncations of the 1/r interactions in models for water and acetonitrile yield very accurate results in bulk simulations for all site-site pair correlation functions as well as dipole-dipole correlation functions.…
A more accurate, stable, finite-difference time-domain (FDTD) algorithm is developed for simulating Maxwell's equations with isotropic or anisotropic dielectric materials. This algorithm is in many cases more accurate than previous…
Numerical simulations of merging compact objects and their remnants form the theoretical foundation for gravitational wave and multi-messenger astronomy. While Cartesian-coordinate-based adaptive mesh refinement is commonly used for…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
Wave propagation and acoustic scattering problems require vast computational resources to be solved accurately at high frequencies. Asymptotic methods can make this cost potentially frequency independent by explicitly extracting the…
This article describes a method devised for efficient evaluation of arbitrary static magnetic and electric fields in a source free region needed for long time tracking of charged particles. Field values given on the boundary of the region…
We demonstrate the first successful non-invasive stabilisation of nonlinear travelling waves in a straight cylindrical pipe using time-delayed feedback control (TDF) working in various symmetry subspaces. By using an approximate linear…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
The linearized field equations of general relativity in harmonic coordinates are given by an inhomogeneous wave equation. In the region exterior to the matter field, the retarded solution of this wave equation can be expanded in terms of 10…
We prove stability of the spectral gap for gapped, frustration-free Hamiltonians under general, quasi-local perturbations. We present a necessary and sufficient condition for stability, which we call "Local Topological Quantum Order" and…
This article emphasizes on inconsistencies in the dynamical estimates obtained by first-order transverse discontinuity mapping (TDM) and direct numerical observations for hybrid dynamical systems. Pitfalls of locally linearizing hybrid…
This study presents a physically informed hybrid time-frequency and machine learning (STFT-ML) framework for arc stability monitoring in electric arc welding systems. The primary current signal is modeled as a stochastic representation of…
We simulate the electrical response of multiple disjoint biological 3D cells undergoing an electropermeabilization process. Instead of solving the boundary value problem in the unbounded volume, we reduce it to a system of boundary…
We discuss a time-harmonic inverse scattering problem for the Helmholtz equation with compactly supported penetrable and possibly inhomogeneous scattering objects in an unbounded homogeneous background medium, and we develop a monotonicity…
This paper considers the inverse problem of scattering of time-harmonic acoustic and electromagnetic plane waves by a bounded, inhomogeneous, penetrable obstacle with embedded objects inside. A new method is proposed to prove that the…
This paper studies the stability of velocity-pressure mixed approximations of the Stokes problem when different finite element (FE) spaces for each component of the velocity field are considered. We consider some new combinations of…
We introduce and study a general concept of multiple fixed point for mappings defined on partially ordered distance spaces in the presence of a contraction type condition and appropriate monotonicity properties. This notion and the obtained…
For problems of time-harmonic scattering by polygonal obstacles, embedding formulae provide a useful means of computing the far-field coefficient induced by any incident plane wave, given the far-field coefficient of a relatively small set…
We discuss a time-harmonic inverse scattering problem for the Navier equation with compactly supported penetrable and possibly inhomogeneous scattering objects in an unbounded homogeneous background medium, and we develop a monotonicity…
Multi-product formulas (MPF) are linear combinations of Trotter circuits offering high-quality simulation of Hamiltonian time evolution with fewer Trotter steps. Here we report two contributions aimed at making multi-product formulas more…