报告题目：Topological Methods and Tools for the Analysis of Big Data on Crystal Structures

报告人: Vladislav A. Blatov教授，俄罗斯萨马拉国立技术大学

主持人：王俊杰教授

时间：2023.10.17（周二）上午9：00-11：00

地点：西工大友谊校区创新大厦B座1329

报告内容：Mathematical models, methods and computer tools for the topological description, analysis and classification of crystal structures are briefly overviewed. ToposPro (https://topospro.com), a program package for comprehensive geometrical and topological analysis of periodic architectures of any composition and complexity is presented. ToposPro is designed for the automated analysis of big data on crystal structures, which are either collected in the world-wide electronic databases or generated by theoretical methods. ToposPro was used to create a system of topological databases, which are available both in the local version and as a set of interactive web-services integrated into the TopCryst system (https://topcryst.com). The topological tools are considered as applied to solving typical tasks of materials science.

报告人简介：Vladislav A. Blatov，俄罗斯萨马拉国立技术大学教授，博导，萨马拉理论材料科学中心主任，俄罗斯科学基金会（RSF）学术委员。他从材料的晶体结构入手，以晶体化学、几何和拓扑方法、计算物理为理论基础，建立材料计算模型，成功开发一项领先的晶体结构综合分析软件ToposPro。他对金属间化合物、分子晶体、配位聚合物和离子化合物等化合物的结构及其合成研究具有深厚的学术造诣。近年来在Nature、Chemical Reviews 、Chemistry of Materials、Journal of Physical Chemistry C等国际知名期刊上发表SCI论文130余篇。