Applied Quantum Chemistry by Qubits (AQUABIT)

  • 1.2 Quantum chemistry
Kaoru Yamanouchi
Graduate School of Science
New research areas in fundamental and applied chemistry being developed by quantum computers are explored based on simulations of a variety of quantum processes involving atoms and molecules using quantum computation.
Research themes of the project
Yamanouchi Laboratory, Department of Chemistry, School of Science

Related links

Research collaborators

DIC Corporation

Related publications

R. Yoshida, E. Lötstedt, K. Yamanouchi, "Quantum computing of Hückel molecular orbitals of π-electron systems," J. Chem. Phys. 156, 184117 (2022).
E. Lötstedt, K. Yamanouchi, T. Tsuchiya, Y. Tachikawa, “Calculation of vibrational eigenenergies on a quantum computer: Application to the Fermi resonance in CO2,” Phys. Rev. A 103, 062609 (2021).


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