27 citations · 100 across the 9 of their papers we have counts for
6 papers · 1 filter
Quantum computation of a quasiparticle band structure with the quantum-selected configuration interaction
Takahiro Ohgoe, Hokuto Iwakiri, Kazuhide Ichikawa +2
Quasiparticle band structures are fundamental for understanding strongly correlated electron systems. While solving these structures accurately on classical computers is challengin…
Demonstrating Quantum Computation for Quasiparticle Band Structures
Takahiro Ohgoe, Hokuto Iwakiri, Masaya Kohda +4
Understanding and predicting the properties of solid-state materials from first-principles has been a great challenge for decades. Owing to the recent advances in quantum technolog…
Quantum-Selected Configuration Interaction: classical diagonalization of Hamiltonians in subspaces selected by quantum computers
Keita Kanno, Masaya Kohda, Ryosuke Imai +4
We propose quantum-selected configuration interaction (QSCI), a class of hybrid quantum-classical algorithms for calculating the ground- and excited-state energies of many-electron…
Non-adiabatic Quantum Wavepacket Dynamics Simulation Based on Electronic Structure Calculations using the Variational Quantum Eigensolver
Hirotoshi Hirai, Sho Koh
A non-adiabatic nuclear wavepacket dynamics simulation of the HO de-excitation process is performed based on electronic structure calculations using the variational quantum…
Molecular Structure Optimization based on Electrons-Nuclei Quantum Dynamics Computation
Hirotoshi Hirai, Takahiro Horiba, Soichi Shirai +4
A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electro…
Calculating nonadiabatic couplings and Berry's phase by variational quantum eigensolvers
Shiro Tamiya, Sho Koh, Yuya O. Nakagawa
The variational quantum eigensolver (VQE) is an algorithm to find eigenenergies and eigenstates of systems in quantum chemistry and quantum many-body physics. The VQE is one of the…