Related papers: Voronoi Construction for Improving Numerical Calcu…
This article represents the computational model for spacial addresation of the sensors in the dynamically changing real-time internet of things system. The model bases on the Voronoi diagrams as a basic data structure. Problem - the correct…
Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known…
We describe a new algorithm for computing the Voronoi diagram of a set of $n$ points in constant-dimensional Euclidean space. The running time of our algorithm is $O(f \log n \log \Delta)$ where $f$ is the output complexity of the Voronoi…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…
Irregular arrangements of vesicles filled with excitable and precipitating chemical systems are imitated by Voronoi automata --- finite-state machines defined on a planar Voronoi diagram. Every Voronoi cell takes four states: resting,…
This article introduces a new efficient particle method for the numerical simulation of crystallization and precipitation at the pore scale of real rock geometries extracted by X-Ray tomography. It is based on the coupling between…
Unlike other schemes that locally violate the essential stability properties of the analytic parabolic and elliptic problems, Voronoi finite volume methods (FVM) and boundary conforming Delaunay meshes provide good approximation of the…
A new method is presented for mesoscopic simulations of particle dispersions in nematic liquid crystal solvents. It allows efficient first-principle simulations of the dispersions involving many particles with many-body interactions…
One of the great challenges of modern science is to faithfully model, and understand, matter at a wide range of scales. Starting with atoms, the vastness of the space of possible configurations poses a formidable challenge to any simulation…
Generally displacement fields in the vicinity of voids were determined by the equations of theory of elasticity. Such a description has its disadvantages as it does not take into account the discrete atomic structure of materials and it…
The chemical dynamics scene is the most important application of computer simulation. We show that electrons jump between potential holes of different depths (new molecular orbits, hybrid atomic orbits with different energies) under the…
Holonomies are of great interest to quantum computation and simulation. The geometrical nature of these entities offers increased stability to quantum gates. Furthermore, symmetries of particle physics are naturally reflected in holonomies,…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
The Voronoi diagrams are an important tool having theoretical and practical applications in a large number of fields. We present a new procedure, implemented as a set of CUDA kernels, which detects, in a general and efficient way,…
In a recent Letter [Phys. Rev. Lett. 103, 097403 (2009)], we outlined a computational method to calculate the optical properties of structures with a spatially nonlocal dielectric function. In this Article, we detail the full method, and…
Sphere packings are essential to the development of physical models for powders, composite materials, and the atomic structure of the liquid state. There is a strong scientific need to be able to assess the fit of packing models to data,…
For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…
In this work, we consider fluid-structure interaction simulation with nonlinear hyperelastic models in the solid part. We use a partitioned approach to deal with the coupled nonlinear fluid-structure interaction problems. We focus on…
We present a numerical scheme for calculating the first quantum corrections to the properties of static solitons. The technique is applicable to solitons of arbitrary shape, and may be used in 3+1 dimensions for multiskyrmions or other…
We review the model of the Voronoi Diagrams which allows to reproduce the large-scale structures of our universe as given by the astronomical catalogs. The observed number of galaxies in a given solid angle with a chosen flux/magnitude…