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