[12a-W833-1~8] 1.1 Interdisciplinary and General Physics

[12a-W833-5] Quantum chemical calculations with quantum computers in educational context

Soki Fuchi¹, Takumi Kato², Koji Okuwaki¹, Kiyohito Yamazaki³, 〇Yuji Mochizuki^1,4, Yuichiro Minato² (1.Rikkyo Univ., 2.MDR, 3.OpenQL Project, 4.Univ. Tokyo)

Keywords:Quantum computers, Quantum chemical calculations, Second quantized Hamiltonian

In recent years, quantum computers (QC) have attracted considerable interests. In particular, an amount of researches and developments in quantum chemical (QC) calculations have been conducted since Aspuru-Guzik’s proposal in Science paper in 2005. A demonstrative “QC on QC” study with real quantum computer was reported by IBM group in 2017. The practical use of “QC on QC” seems to be a little later, however. In this presentation, we will summarize the fundamental scheme of “QC on QC” and make a preliminary examination on its possibilities as an educational tool in university subjects such as chemical bonding theory and molecular orbital theory.