Related papers: Material specific optimization of Gaussian basis s…
The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the `standard model' of condensed matter physics. The model has been remarkably…
Geometrical optics (GO) is widely used in studies of electromagnetic materials because of its ease of use compared to full-wave numerical simulations. Exact solutions for waves can, however, differ significantly from the GO approximation.…
Electronic materials exhibiting phase transitions between metastable states (e.g., metal-insulator transition materials with abrupt electrical resistivity transformations) are challenging to decode. For these materials, conventional machine…
Finite-range numerical atomic orbitals are the basis functions of choice for several first principles methods, due to their flexibility and scalability. Generating and testing such basis sets, however, remains a significant challenge for…
One of the key advantages of 3D rendering is its ability to simulate intricate scenes accurately. One of the most widely used methods for this purpose is Gaussian Splatting, a novel approach that is known for its rapid training and…
We use electronic structure calculations based upon density functional theory to search for ideal plasmonic materials among the alkali noble intermetallics. Importantly, we use density functional perturbation theory to calculate the…
Computational exploration of the compositional spaces of materials can provide guidance for synthetic research and thus accelerate the discovery of novel materials. Most approaches employ high-throughput sampling and focus on reducing the…
In this paper, we present a method to optimize Gaussian splatting with a limited number of images while avoiding overfitting. Representing a 3D scene by combining numerous Gaussian splats has yielded outstanding visual quality. However, it…
In a simple model of propagation of asymmetric Gaussian beams in nonlinear waveguides, described by a reduction to ordinary differential eqautions of generalized nonlinear Schrodinger equations (GNLSEs) with cubic-quintic (CQ) and saturable…
While pseudospectral (PS) methods can feature very high accuracy, they tend to be severely limited in terms of geometric flexibility. Application of global radial basis functions overcomes this, however at the expense of problematic…
Coherent wide parameter-space searches for continuous gravitational waves are typically limited in sensitivity by their prohibitive computing cost. Therefore semi-coherent methods (such as StackSlide) can often achieve a better sensitivity.…
Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties. Traditional electronic structure methods require expensive…
The quantum simulation of real molecules and materials is one of the most highly anticipated applications of quantum computing. Algorithms for simulating electronic structure using a first-quantized plane wave representation are especially…
We study bandstructure properties of periodic optical systems composed of lossy and intrinsically dispersive materials. To this end, we develop an analytical framework based on adjoint modes of a lossy periodic electromagnetic system and…
Strong magnetic fields such as those found on white dwarfs have significant effects on the electronic structure of atoms and molecules. However, the vast majority of molecular studies in the literature in such fields are carried out with…
The kinematics of a gliding flat-plate with spanwise oscillation has been optimized to enhance the power efficiency by using Bayesian optimization method, in which the portfolio allocation framework consists of a Gaussian process…
Metasurfaces are generally designed by placing scatterers in a periodic grid. We propose and discuss design rules for efficient random and functional metasurfaces with anisotropic elements. We investigate the impact of the elements density…
In a recent paper we described a novel approach to the detection and parameter estimation of a non-Gaussian stochastic background of gravitational waves. In this work we propose an improved version of the detection procedure, preserving…
We describe a novel approach to the detection and parameter estimation of a non\textendash Gaussian stochastic background of gravitational waves. The method is based on the determination of relevant statistical parameters using importance…
We present pseudo-potential coefficients for the first two rows of the periodic table. The pseudo potential is of a novel analytic form, that gives optimal efficiency in numerical calculations using plane waves as basis set. At most 7…