[G] Hydrogen and Battery Related Materials(2)

11:40 AM - 11:55 AM JST(2:40 AM - 2:55 AM UTC)

[93] Machine learning and density functional theory for determining formation enthalpy of high-entropy hydrides

○Shivam Dangwal^1,2, Pranav Kumar³, Yuji Ikeda³, Blazej Grabowski³, Kaveh Edalati^1,2 (1. WPI-I2CNER, Kyushu University, Fukuoka, Japan, 2. The Department of Automotive Science, Kyushu University, Fukuoka, Japan, 3. Institute for Materials Science, University of Stuttgart, Stuttgart, Germany)

Keywords:

Solid-state hydrogen storage,Multi-principal element alloys (MPEAs),Ab initio calculations,Artificial intelligence,High-entropy alloys

This study focuses on determining the formation enthalpy of high-entropy alloys using machine learning with validation from density functional theory and experiments.