[2Aa01-14] データ駆動表面科学研究部会「データ駆動アプローチ研究の最近の動向」

[2Aa01] Quantification of structural information of electrolyte based on topological data analysis

*kazuto akagi¹ (1. Tohoku University)

Quantification of structural information is an essential problem in the investigation on structure-property correlation of materials. Topological data analysis (TDA) is a useful mathematical scheme which can treat both the atomic configurations and imaging data. In this talk, we will see how TDA works with machine-learning techniques in a few examples of electrolyte materials based on molecular simulation results.