Related papers: A Novel, Finite-Element Model for Spin-Exchange Op…
High-fidelity modeling of turbulent flows requires capturing complex spatiotemporal dynamics and multi-scale intermittency, posing a fundamental challenge for traditional knowledge-based systems. While deep generative models, such as…
Efficient performance of a number of engineering systems is achieved through different modes of operation - yielding systems described as "hybrid", containing both real-valued and discrete decision variables. Prominent examples of such…
For two prototype systems, we calculate the exact exchange-correlation kernels $f_{\mathrm{xc}}(x,x',\omega)$ of time-dependent density functional theory. $f_{\mathrm{xc}}$, the key quantity for optical absorption spectra of electronic…
There are several approaches to describe flows with particles e.g. Lattice-Gas Automata (LGA), Lattice-Boltzmann method (LBM) or smoothed particle hydrodynamics (SPH). These approaches do not use fixed grids on which the Navier-Stokes…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
This paper presents an improved immersed moving boundary model (IBM) for solving complex fluid-particle interactions in a coupled lattice Boltzmann method (LBM) and an adhesive discrete element method (DEM), using the "partially saturated…
In this work, we present an open-source implementation of the enumerative sphere shaping (ESS) algorithm used for probabilistic constellation shaping (PCS). PCS aims at closing the shaping gap caused by using uniformly distributed…
We consider the common problem setting of an elastic sphere impacting on a flexible beam. In contrast to previous studies, we analyze the modal energy distribution induced by the impact, having in mind the particular application of impact…
Phenomena taking place in capacitively coupled plasmas with large electrodes and driven at very high frequencies are studied numerically utilizing a novel energy- and charge-conserving implicit fully electromagnetic particle-in-cell / Monte…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
We propose a hidden convexity-based method to address distributed optimal energy flow (OEF) problems for transmission-level integrated electricity-gas systems. First, we develop a node-wise decoupling method to de-compose an OEF problem…
We present a finite element method (FEM) solver for computation of optical resonance modes in VCSELs. We perform a convergence study and demonstrate that high accuracies for 3D setups can be attained on standard computers. We also…
We propose an energy-stable parametric finite element method (ES-PFEM) for simulating solid-state dewetting of thin films in two dimensions via a sharp-interface model, which is governed by surface diffusion and contact line (point)…
A new class of orbital-dependent exchange-correlation (xc) potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential (OEP) formalism for the exact exchange…
A new optical pumping scheme is presented that uses incoherent Raman transitions to prepare a trapped Cesium atom in a specific Zeeman state within the 6S_{1/2}, F=3 hyperfine manifold. An important advantage of this scheme over existing…
An all-optical scheme to polarize nuclear spins in a single quantum dot is analyzed. The hyperfine interaction with randomly oriented nuclear spins presents a fundamental limit for electron spin coherence in a quantum dot; by cooling the…
We present a computational framework for modeling large-scale particle-laden flows in complex domains with the goal of enabling simulations in medical-image derived patient specific geometries. The framework is based on a volume-filtered…
The increase in renewable energy sources (RESs), like wind or solar power, results in growing uncertainty also in transmission grids. This affects grid stability through fluctuating energy supply and an increased probability of overloaded…
This work presents a practical finite element modeling strategy, the Crack Element Method (CEM), for simulating the dynamic crack propagation in two-dimensional structures. The method employs an element-splitting algorithm based on the…
Optical levitation of nano-scale systems offers a pathway to highly sensitive rotation measurements, which are critical for advancing gyroscopic technologies. While prior studies have primarily focused on controlling rotational degrees of…