Topological characterization of network structures of aggregates of atoms
Shousuke Ohmori, Tomoyuki Yamamoto, Akihiko Kitada

TL;DR
This paper uses point set topology to analyze and differentiate between two types of atomic aggregate structures, focusing on their network configurations and clusterization properties.
Contribution
It introduces a topological framework that classifies atomic aggregates based on their network and clusterized structures, highlighting key differences.
Findings
Two distinct topological structures identified for atomic aggregates
A specific topological space connects the two structures based on equivalence classes
Main structural differences relate to clusterization and network configuration
Abstract
Two distinct structures of aggregates of atoms connected by anisotropic bonds with a network configuration are discussed from the viewpoint of a point set topology. A specific topological space connects the two types of topological structures based on the equivalence classes, which show the main difference of the structures between the aggregates of atoms with or without a clusterized structure.
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Taxonomy
TopicsComputational Drug Discovery Methods · Topological and Geometric Data Analysis · History and advancements in chemistry
