Related papers: Programs and algorithms for the shell decompositio…
The simulation of intrinsic contributions to molecular properties holds the potential to allow for chemistry to be directly inferred from changes to electronic structures at the atomic level. In the present study, we demonstrate how such…
In recent years, simulation methods based on the scaling of atomic potential functions, such as quasi-coarse-grained dynamics and coarse-grained dynamics, have shown promising results for modeling crystalline systems at multiple scales.…
We use spherical cap harmonic (SCH) basis functions to analyse and reconstruct the morphology of scanned genus-0 rough surface patches with open edges. We first develop a novel one-to-one conformal mapping algorithm with minimal area…
As modeling and visualization applications proliferate, there arises a need to simplify large polygonal models at interactive rates. Unfortunately existing polygon mesh simplification algorithms are not well suited for this task because…
Mesoscopic molecular dynamics simulations are used to determine the large scale structure of several binary polymer mixtures of various chemical architecture, concentration, and thermodynamic conditions. By implementing an analytical…
Particle-In-Cell codes are widely used for plasma physics simulations. It is often the case that particles within a computational cell need to be split to improve the statistics or, in the case of non-uniform meshes, to avoid the…
We propose a functional view of matrix decomposition problems on graphs such as geometric matrix completion and graph regularized dimensionality reduction. Our unifying framework is based on the key idea that using a reduced basis to…
Cosmological random fields are often analysed in spherical Fourier-Bessel basis. Compared to the Cartesian Fourier basis this has an advantage of properly taking into account some of the relevant physical processes (redshift-space…
The CLEAN deconvolution algorithm has well-known limitations due to the restriction of locating point source model components on a discretized grid. In this letter we demonstrate that these limitations are even more pronounced when applying…
The quantum state of ultracold atoms is often determined through measurement of the spatial distribution of the atom cloud. Absorption imaging of the cloud is regularly used to extract this spatial information. Accurate determination of the…
Alternative expressions for calculating the oblate spheroidal radial functions of both kinds R1ml and R2ml are shown to provide accurate values over very large parameter ranges using 64 bit arithmetic, even where the traditional expressions…
Atomic simulations of material microstructure require significant resources to generate, store and analyze. Here, atomic descriptor functions are proposed as a general latent space to compress atomic microstructure, ideal for use in…
Structured optimization uses a prescribed set of atoms to assemble a solution that fits a model to data. Polarity, which extends the familiar notion of orthogonality from linear sets to general convex sets, plays a special role in a simple…
A fully implementable filtered polynomial approximation on spherical shells is considered. The method proposed is a quadrature-based version of a filtered polynomial approximation. The radial direction and the angular direction of the…
Optical neuroimaging is a vital tool for understanding the brain structure and the connection between regions and nuclei. However, the image noise introduced in the sample preparation and the imaging system hinders the extraction of the…
This paper demonstrates a practical method that can correct spatial varying blur from a set of images of the same object. The algorithm jointly estimates the object and local point spread functions~(PSF). The method prioritizes sections…
Confocal microscopy of fluorescent labeled particles has been used to study the dynamical and structural properties of colloidal and granular matter in real space. Localization algorithms allow for a fully automatized determination of the…
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…
The state-of-the-art error correcting codes are based on large random constructions (random graphs, random permutations, ...) and are decoded by linear-time iterative algorithms. Because of these features, they are remarkable examples of…
Aims. To investigate the performance of a deconvolution map-making algorithm for an experiment with a circular scanning strategy, specifically in this case for the analysis of Planck data, and to quantify the effects of making maps using…