Related papers: VoroTop: Voronoi Cell Topology Visualization and A…

Molecular Dynamics simulations are essential tools for understanding the dynamic behavior of biomolecules, yet extracting meaningful molecular pathways from these simulations remains challenging due to the vast amount of generated data. In…

Detecting topological order in cold-atom experiments is an ongoing challenge, the resolution of which offers novel perspectives on topological matter. In material systems, unambiguous signatures of topological order exist for topological…

Every algorithm which can be executed on a computer can at least in principle be realized in hardware, i.e. by a discrete physical system. The problem is that up to now there is no programming language by which physical systems can…

This paper proposes methods for reachability analysis of nonlinear systems in both open loop and closed loop with advanced controllers. The methods combine hybrid zonotopes, a construct called a state-update set, functional decomposition,…

This paper describes the method of visualization of periodic constituents and instability areas in series of measurements, being based on the algorithm of smoothing out and concept of one-dimensional cellular automata. A method can be used…

Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…

Driven by Convolutional Neural Networks, object detection and semantic segmentation have gained significant improvements. However, existing methods on the basis of a full top-down module have limited robustness in handling those two tasks…

Let $S$ be a planar $n$-point set. A triangulation for $S$ is a maximal plane straight-line graph with vertex set $S$. The Voronoi diagram for $S$ is the subdivision of the plane into cells such that all points in a cell have the same…

VOSviewer is a computer program for creating, visualizing, and exploring bibliometric maps of science. In this report, the new text mining functionality of VOSviewer is presented. A number of examples are given of applications in which…

We present the proof assistant homotopy.io for working with finitely-presented semistrict higher categories. The tool runs in the browser with a point-and-click interface, allowing direct manipulation of proof objects via a graphical…

In the present paper, we introduce a new neural network-based tool for the prediction of formation energies of atomic structures based on elemental and structural features of Voronoi-tessellated materials. We provide a concise overview of…

We devote our studies to the subject of weakly nonintegrable dynamics of systems with a macroscopic number of degrees of freedom. Our main points of interest are the relations between the timescales of thermalization and the timescales of…

We describe the topological cluster classification (TCC) algorithm. The TCC detects local structures with bond topologies similar to isolated clusters which minimise the potential energy for a number of monatomic and binary simple liquids…

We introduce a numerical framework that enables unprecedented direct numerical studies of the electropermeabilization effects of a cell aggregate at the meso-scale. Our simulations qualitatively replicate the shadowing effect observed in…

The Open Knowledgebase of Interatomic Models (OpenKIM) project is a framework intended to facilitate access to standardized implementations of interatomic models for molecular simulations along with computational protocols to evaluate them.…

We introduce NetworKit, an open-source software package for analyzing the structure of large complex networks. Appropriate algorithmic solutions are required to handle increasingly common large graph data sets containing up to billions of…

The desktop GUI catalogue analysis tool TOPCAT, and its command-line counterpart STILTS, offer among other capabilities visual exploration of locally stored tables containing millions of rows or more. They offer many variations on the theme…

Recently, persistent homology has had tremendous success in biomolecular data analysis. It works by examining the topological relationship or connectivity of a group of atoms in a molecule at a variety of scales, then rendering a family of…

Natural data offer a hard challenge to data analysis. One set of tools is being developed by several teams to face this difficult task: Persistent topology. After a brief introduction to this theory, some applications to the analysis and…

We propose a method to probe the local density of states (LDOS) of atomic systems that provides both spatial and energy resolution. The method combines atomic and tunneling techniques to supply a simple, yet quantitative and operational,…