[K202-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[K202-3pm-06] Direct calculation of numerical energy gradient by using Bayesian phase difference estimation algorithm and application to geometry optimization

^○Kenji Sugisaki^1,2,3, Hiroyuki Wakimoto¹, Kazuo Toyota¹, Kazunobu Sato¹, Daisuke Shiomi¹, Takeji Takui¹ (1. Osaka Metropolitan University, 2. JST PRESTO, 3. CQuERE, TCG CREST)

[Lang.] Japanese

Keywords:Quantum computers, Quantum chemical calculations, Quantum algorithm, Geometry optimization, Finite difference method