Related papers: Alternating-Order Interpolation in a Charge-Conser…
Computationally expensive Radiative Transfer Models (RTMs) are widely used} to realistically reproduce the light interaction with the Earth surface and atmosphere. Because these models take long processing time, the common practice is to…
We use extreme-ultraviolet interferometry to measure the phase of high-order harmonic generation from transiently aligned CO2 molecules. We unambiguously observe a reversal in phase of the high order harmonic emission for higher harmonic…
Based on a first-principles approach, we show that in a single crystal of a prototypical topological insulator such as Bi$_2$Se$_3$ the difference in the work function between adjacent surfaces with different crystal-face orientations…
Calculating intermolecular charge transfer integrals in organic semiconductors requires substantial computer resource for each individual calculation. We might alternatively construct a machine learning model for transfer integrals, which…
We study, in the presence of an external electrostatic field, the interatomic interaction between two ground-state atoms coupled with vacuum electromagnetic fluctuations within the dipole coupling approximation based on the perturbation…
Solving for charged particle motion in electromagnetic fields (i.e. the particle pushing problem) is a computationally intensive component of particle-in-cell (PIC) methods for plasma physics simulations. This task is especially challenging…
In this paper, we construct a semi-implicit finite difference method for the time dependent Poisson-Nernst-Planck system. Although the Poisson-Nernst-Planck system is a nonlinear system, the numerical method presented in this paper only…
In contrast to magnetic order formed by electrons' dipolar moments, ordering phenomena associated with higher-order multipoles (quadrupoles, octupoles, etc.) are more difficult to characterize because of the limited choice of experimental…
We present a new technique for the interpolation of discretely-sampled non-negat ive scalar fields across regions of missing data. Any set of basis functions can be used, though the method is fastest when they are close to orthogonal. We…
We study f-electron lattice models which are capable of supporting octupolar, as well dipolar and quadrupolar, order. Analyzing the properties of the Gamma8 ground state quartet, we find that (111)-type combinations of the Gamma5 octupoles…
We consider a class of finite element approximations for fourth-order parabolic equations that can be written as a system of second-order equations by introducing an auxiliary variable. In our approach, we first solve a variational problem…
Ferroelectric and ferromagnetic materials possess spontaneous electric and magnetic order, respectively, which can be switched by the corresponding applied electric and magnetic fields. Multiferroics combine these properties in a single…
The calculation of scattering amplitudes at higher orders in perturbation theory has reached a high degree of maturity. However, their usage to produce physical predictions within Monte Carlo programs is often precluded by the slow…
We consider the electronic analog of the Hong-Ou-Mandel interferometer from quantum optics. In this realistic condensed matter device, single electrons are injected and travel along opposite chiral edge states of the integer quantum Hall…
We present an efficient and accurate energy-conserving implicit particle-in-cell~(PIC) algorithm for the electrostatic Vlasov system, with particular emphasis on its high robustness for simulating complex plasma systems with multiple…
We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis…
A non-empirical exchange functional based on an interpolation between two limits of electron density: slowly varying limit and asymptotic limit, is proposed. In the slowly varying limit, we follow the study by Kleinman in 1984 which…
We propose a mechanism for the fast dissipation of magnetic fields which is effective in a stratified medium where ion motions can be neglected. In such a medium, the field is frozen into the electrons and Hall currents prevail. Although…
We present a new Monte Carlo algorithm for the interpolation of a straight-line program as a sparse polynomial $f$ over an arbitrary finite field of size $q$. We assume a priori bounds $D$ and $T$ are given on the degree and number of terms…
We introduce a computational method for global optimization of structure and ordering in atomic systems. The method relies on interpolation between chemical elements, which is incorporated in a machine learning structural fingerprint. The…