Related papers: Calculating Voronoi diagrams using simple chemical…
Voronoi diagrams are a fundamental geometric data structure for obtaining proximity relations. We consider collections of axis-aligned orthogonal polyhedra in two and three-dimensional space under the max-norm, which is a particularly…
In this paper, it is presented a methodology for implementing arbitrarily constructed time-homogenous Markov chains with biochemical systems. Not only discrete but also continuous-time Markov chains are allowed to be computed. By employing…
A Voronoi diagram partitions the plane into convex cells, each containing the points closest to a single generator. Given such a tessellation, the inverse Voronoi problem seeks the generator set \( S \) that produced it. Our algorithm…
Voronoi grids have been successfully used to represent density structures of gas in astronomical hydrodynamics simulations. While some codes are explicitly built around using a Voronoi grid, others, such as Smoothed Particle Hydrodynamics…
Updating an abstract Voronoi diagram after deletion of one site in linear time has been a well-known open problem; similarly, for concrete Voronoi diagrams of non-point sites. In this paper, we present an expected linear-time algorithm to…
The atomic volume and surface are important geometric quantities for calculating various macroscopic physical quantities from atomic models. This paper proposes a new analytical method to calculate the atomic volumes and surfaces of a metal…
Probing the structure of complex astrophysical objects requires effective three-dimensional (3D) numerical simulation of the relevant radiative transfer (RT) processes. As with any numerical simulation code, the choice of an appropriate…
In this paper, we review the computational aspects of a multiscale dissipative particle dynamics model for complex fluid simulations based on the feature-rich geometry of the Voronoi tessellation. The geometrical features of the model are…
This paper introduces a new open-source software program called VoroTop, which uses Voronoi topology to analyze local structure in atomic systems. Strengths of this approach include its abilities to analyze high-temperature systems and to…
We study Voronoi diagrams of manifolds and varieties with respect to polyhedral norms. We provide upper and lower bounds on the dimensions of Voronoi cells. For algebraic varieties, we count their full-dimensional Voronoi cells. As an…
Chemical reaction networks (CRNs) model the behavior of chemical reactions in well-mixed solutions and they can be designed to perform computations. In this tutorial we give an overview of various computational models for CRNs. Moreover, we…
Modern computational chemistry has reached a stage at which massive exploration into chemical reaction space with unprecedented resolution with respect to the number of potentially relevant molecular structures has become possible. Various…
Extraction of a high-fidelity 3D medial axis is a crucial operation in CAD. When dealing with a polygonal model as input, ensuring accuracy and tidiness becomes challenging due to discretization errors inherent in the mesh surface.…
Recent technological advances allow us to view chemical mass-action systems as analog computers. In this context, the inputs to a computation are encoded as initial values of certain chemical species while the outputs are the limiting…
Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a ``virtual laboratory'', where materials could be designed from first-principles without relying on…
The study demonstrates the capabilities of a vector-based approach for calculating stoichiometric coefficients in chemical equations, using black powder as an illustrative example. A method is proposed for selecting and constraining…
The Voronoi tessellation is a natural way of space segmentation, which has many applications in various fields of science and technology, as well as in social sciences and visual art. The varieties of the Voronoi tessellation methods are…
Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent…
Modeling microstructures is an interesting problem not just in Materials Science but also in Mathematics and Statistics. The most basic model for steel microstructure is the Poisson-Voronoi diagram. It has mathematically attractive…
We introduce a new theoretical model of simple fluid, whose interactions, defined in terms of the Voronoi cells of the configurations, are local and many-body. The resulting system is studied both theoretically and numerically. We show that…