The 67th JSAP Spring Meeting 2020
Mar 12 - Mar 15, 2020Sophia University,Yotsuya Campus
The 67th JSAP Spring Meeting 2020
Mar 12 - Mar 15, 2020Sophia University,Yotsuya Campus
[12a-PB1-2]Improvements of quantum chemical calculations with quantum computers
Takumi Kato1, Koji Okuwaki2, 〇Yuji Mochizuki2,3, Kenji Sugisaki4,5, Shinya Morino6, Yuichiro Minato1(1.MDR Inc., 2.Rikkyo Univ., 3.Univ. Tokyo, 4.Osaka City Univ., 5.JST PRESTO, 6.NVIDIA NVAITC (Japan))
Keywords:
Quantum computers,Quantum chemical calculations,Blueqat
In a couple of presentations in 2019, we reported developments of quantum chemical calculation system with the Blueqat quantum computation simulator, by considering a practical usage in educational situations. In this presentation, the performance improvement will be shown, through the introduction of molecular symmetry (reducing variational parameters to be optimized) and also the interface with Qgate as a GPU-based accelerator.