Related papers: Alternating-Order Interpolation in a Charge-Conser…
Charge transfer in polymer devices represents a crucial, though highly inaccessible stage of photocurrent generation. In this article we propose studying the properties and behaviour of organic solar cells through the modification of…
In this paper we present a novel method to overcome membrane locking of thin shells. An interpolation operator into the so-called Regge finite element space is inserted in the membrane energy term to weaken the implicitly given kernel…
The equations of motion of a single particle subject to an arbitrary electric and a static magnetic field form a Poisson system. We present a second-order time integration method which preserves well the Poisson structure and compare it to…
Nowadays, climate models rely on couplers. Each complete climate model is broken into different sub-models (oceanic, atmospheric,...), each one working on a different grid. The coupler brings these models together and interpolates the…
In this article, we present an interpolative separable density fitting (ISDF) based algorithm to calculate exact exchange in periodic mean field calculations. In the past, decomposing the two-electron integrals into tensor hypercontraction…
A prescription is presented for the interpolation between multi-dimensional distribution templates based on one or multiple model parameters. The technique uses a linear combination of templates, each created using fixed values of the…
A charge conserving approximation scheme determining the excitations of crystalline solids is proposed. Like other such approximations, it relies on "downfolding" of the original microscopic model to a simpler electronic model on the…
We address the problem of reasoning about interleavings in safety verification of concurrent programs. In the literature, there are two prominent techniques for pruning the search space. First, there are well-investigated trace-based…
An electrostatic, implicit particle-in-cell (PIC) model for collisionless, fully magnetized, paraxial plasma expansions in a magnetic nozzle is introduced with exact charge, energy, and magnetic moment conservation properties. The approach…
A recent proof-of-principle study proposes a nonlinear electrostatic implicit particle-in-cell (PIC) algorithm in one dimension (Chen, Chacon, Barnes, J. Comput. Phys. 230 (2011) 7018). The algorithm employs a kinetically enslaved…
We investigate magnetic reconnection in systems simultaneously containing asymmetric (anti-parallel) magnetic fields, asymmetric plasma densities and temperatures, and arbitrary in-plane bulk flow of plasma in the upstream regions. Such…
This article gives a ``fundamental solution'' based energy-norm harmonic interpolation approach for two half-space settings of interest: the upper-half $\mathbb{R}^n$ plane, where fundamental solutions satisfy Laplace's equation, and the…
In this paper, we present an efficient Particle-In-Cell algorithm for the simulation of the three dimensional Vlasov-Poisson system in the presence of a strong external magnetic field. When the intensity of the magnetic field is…
Computational study of molecules and materials from first principles is a cornerstone of physics, chemistry, and materials science, but limited by the cost of accurate and precise simulations. In settings involving many simulations, machine…
We present a general form of the iteration and interpolation process used in implicit particle filters. Implicit filters are based on a pseudo-Gaussian representation of posterior densities, and are designed to focus the particle paths so…
Time-centered, hence second-order, methods for integrating the relativistic momentum of charged particles in an electromagnetic field are derived. A new method is found by averaging the momentum before use in the magnetic rotation term, and…
We provide a first-principle, materials-specific theory of multipolar order and superexchange in NpO$_2$ by means of a non-collinear local-density approximation +$U$ (LDA+$U$) method. Our calculations offer a precise microscopic description…
The new CLEO and LEP data on the eta-gamma and eta'-gamma transition form factors have renewed the interest in simple interpolation formulas, valid at any value of momentum transfer. We are going to show that recent theoretical and…
A two-dimensional particle-in-cell code for simulation of low-frequency electromagnetic processes in laboratory plasmas has been developed. The code uses the Darwin method omitting the electromagnetic wave propagation. The Darwin method…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…