Quantum Application Research Development for Materials Developments -Quantum Chemistry and Quantum Dynamics Computations-

Hirotoshi Hirai

Presentation information

Symposium (Oral)

Symposium » Quantum Computer: Technologies to build a system, and expected applications (II)

[24p-E101-1~10] Quantum Computer: Technologies to build a system, and expected applications (II)

Thu. Mar 24, 2022 1:30 PM - 6:05 PM E101 (E101)

Satoshi Iwamoto(Univ. of Tokyo), Kenichi Kawaguchi(Fujitsu Limited), Hideo Kosaka(Yokohama Natl. Univ.), Takaaki Domon(The Akita Bank, Ltd)

4:30 PM - 5:00 PM

[24p-E101-7] Quantum Application Research Development for Materials Developments -Quantum Chemistry and Quantum Dynamics Computations-

〇Hirotoshi Hirai¹ (1.Toyota Central R&D Labs)

Keywords:quantum computer, quantum chemistry, quantum dynamics

We are working on developing applications of quantum computers for materials development. In this talk, I will present examples of quantum chemical calculations of core-excited and core-ionized states using quantum algorithms (VQE, VQD, VQS, etc.) mainly for NISQ (Noisy Intermediate-Scale Quantum) devices. We will also introduce the concept of a molecular structure optimization method using the imaginary time evolution method that is not disturbed by local stable states. In addition, we will discuss the issues to be solved in the calculation using "real" devices.