122 citations · 306 across the 6 of their papers we have counts for
6 papers
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
Mario Motta, Gavin O. Jones, Julia E. Rice +5
The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An…
Optimizing Parameterized Quantum Circuits with Free-Axis Selection
Hiroshi C. Watanabe, Rudy Raymond, Yu-ya Ohnishi +2
Variational quantum algorithms, which utilize Parametrized Quantum Circuits (PQCs), are promising tools to achieve quantum advantage for optimization problems on near-term quantum…
Post-Hartree-Fock method in Quantum Chemistry for Quantum Computer
Yutaka Shikano, Hiroshi C. Watanabe, Ken M. Nakanishi +1
Quantum computational chemistry is a potential application of quantum computers that is expected to effectively solve several quantum-chemistry problems, particularly the electroni…
Variational Quantum Simulation for Periodic Materials
Nobuyuki Yoshioka, Takeshi Sato, Yuya O. Nakagawa +2
We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the u…
Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters
Qi Gao, Gavin O. Jones, Mario Motta +7
A quantum chemistry study of the first singlet (S1) and triplet (T1) excited states of phenylsulfonyl-carbazole compounds, proposed as useful thermally activated delayed fluorescen…
Orbital optimized unitary coupled cluster theory for quantum computer
Wataru Mizukami, Kosuke Mitarai, Yuya O. Nakagawa +3
We propose an orbital optimized method for unitary coupled cluster theory (OO-UCC) within the variational quantum eigensolver (VQE) framework for quantum computers. OO-UCC variatio…