[18a-A21-1~11] 23.1 Joint Session N "Informatics"

9:00 AM - 9:15 AM JST(12:00 AM - 12:15 AM UTC)

[18a-A21-1] Verification of Material Exploration Method Utilizing Quantum-Inspired Technologies

〇Kazuhiro Hashiguchi¹, Akito Maruo¹, Shinji Iwane¹, Hideyuki Jippo¹, Yoshinori Suga² (1.Fujitsu Ltd., 2.Toyota Motor Corp.)

Keywords:

Materials Informatics,Digital Annealer,Optimization

This study demonstrates the optimization of elemental arrangement in diamond structures of C, Si, and Ge to achieve a desired band gap, by combining mathematical optimization techniques utilizing Fujitsu's quantum-inspired technology, Digital Annealer (DA), with density functional theory (DFT) calculations using Quantum Espresso (QE). The optimization employed FM-DA&GA, a combination of the machine learning method Factorization Machine (FM), DA, and Genetic Algorithm (GA), and its superiority over the conventional GA method was confirmed.