[17a-S2_204-1~13] 23.1 Joint Session N "Informatics"

10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)

[17a-S2_204-5] Quantum-Inspired Technology for Stable Structure Exploration of Lithium-Ion Battery Cathode Materials

〇Kazuhiro Hashiguchi¹, Yuji Masuda¹, Manabu Mizobuchi¹, Hideyuki Jippo¹, Koki Nakano², Hisatsugu Yamasaki², Makoto Saito², Yoshinori Suga² (1.Fujitsu Ltd., 2.Toyota Motor Corp.)

Keywords:

Materials Informatics,Digital Annealer,Optimization

This study investigated a method for the stable structure exploration of lithium-ion battery cathode materials by combining mathematical optimization techniques utilizing Fujitsu's quantum-inspired Digital Annealer (DA) with density functional theory (DFT) calculations performed using Quantum Espresso (QE). For optimization, we employed FM-DA&GA, which integrates the machine learning method Factorization Machines (FM) with DA and a genetic algorithm (GA), confirming its superiority over the conventional GA method.