Design and characterization of functional materials by (high-throughput) first-principles calculations

CFM Seminars

Speaker: Yuewen FANG, CFM CSIC-UPV/EHU
When: 2022/05/03
14:00
Place: Centro de Fisica de Materiales (Auditorium)
Add to calendar: iCal

Subscribe to Newsletter

Design and characterization of functional materials by (high-throughput) first-principles calculations

In this talk, I will discuss the power of (high-throughput) first-principles calculations in the design and characterization of functional materials, especially for the ferroelectrics, polar metals, and thermoelectrics in my recent study. In addition, I will outline the research plan about how we will combine the high-throughput first-principles calculations with the machine learning methods to accelerate the discovery of polar materials and hydrogen- based superconductors. Host: Ion Errea