Tuesday, June 21, 2022 - 09:00 in ZOOM - Video Conference
Persistent path homology in molecular and material sciences
A talk in the Geometric Analysis Seminar series by
Dong Chen from Peking University, Shenzhen Graduate School, and BIMSA
| Abstract: |
Path homology introduced by Yau and coworkers is mathematically rich and opens new directions in both pure and applied mathematics. As a generalization, persistent path homology (PPH) enables a multiscale analysis of directed graphs (digraphs) and networks. In this work, we introduce PPH to analyze and characterize directed structures in molecular and material sciences. PPH unveils the Jahn-Teller effect and distinguishes different catalysts with the same conformation in materials science. We also propose angle-based persistent path homology to discriminate spatial isomers in molecular science, including Cis-Trans structures and chiral molecules. Additionally, angle-based PPH uncovers unique structural units with mirror symmetry that may be present in high-entropy alloys. Finally, PPH is applied to systems biology to describe the blood coagulation formation, revealing its pivoting stages.
Within the CRC this talk is associated to the project(s): A3 |
Back
