Zobrazeno 1 - 10
of 74
pro vyhledávání: '"Yu-ya Ohnishi"'
Autor:
Shogo Takasuka, Sho Ito, Shunto Oikawa, Yosuke Harashima, Tomoaki Takayama, Aniruddha Nag, Araki Wakiuchi, Tsuyoshi Ando, Tetsunori Sugawara, Miho Hatanaka, Tomoyuki Miyao, Takamitsu Matsubara, Yu-Ya Ohnishi, Hiroharu Ajiro, Mikiya Fujii
Publikováno v:
Science and Technology of Advanced Materials: Methods (2024)
Proportions of monomers in a copolymer will greatly affect the properties of materials. However, due to a phenomenon known as composition drift, the proportions of monomers in a copolymer can deviate from the value expected from the raw monomer ratio
Externí odkaz:
https://doaj.org/article/5767e6e0fd3a49fb9d4c65e91a61cd40
Publikováno v:
IEEE Transactions on Quantum Engineering, Vol 4, Pp 1-16 (2023)
Variational quantum algorithms, which utilize parameterized quantum circuits (PQCs), are promising tools to achieve quantum advantage for optimization problems on near-term quantum devices. Their PQCs have been conventionally constructed from paramet
Externí odkaz:
https://doaj.org/article/5953f04efa8d4acf91a27b030ee284f0
Autor:
Qi Gao, Gavin O. Jones, Mario Motta, Michihiko Sugawara, Hiroshi C. Watanabe, Takao Kobayashi, Eriko Watanabe, Yu-ya Ohnishi, Hajime Nakamura, Naoki Yamamoto
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-9 (2021)
Abstract A quantum chemistry study of the first singlet (S 1) and triplet (T 1) excited states of phenylsulfonyl-carbazole compounds, proposed as useful thermally activated delayed fluorescence (TADF) emitters for organic light emitting diode (OLED)
Externí odkaz:
https://doaj.org/article/0ad9f008c14b404a9b3f32e830dc4b86
Autor:
Mario Motta, Gavin O. Jones, Julia E. Rice, Tanvi P. Gujarati, Rei Sakuma, Ieva Liepuoniute, Jeannette M. Garcia, Yu-ya Ohnishi
Publikováno v:
Chemical Science. 14:2915-2927
The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An important ramification is to determine the dominant molecular fragmen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef74d4c63e730f20543c5ee50842f866
https://doi.org/10.1039/d2sc06019a
https://doi.org/10.1039/d2sc06019a
Publikováno v:
Physical Review Research, Vol 4, Iss 1, p 013052 (2022)
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 unitary coupled cluster (UCC) theory to describe crystals in arbitrary
Externí odkaz:
https://doaj.org/article/c248284ac835452b91c0a9bffe70a769
Autor:
Araki Wakiuchi, Swarit Jasial, Shigehito Asano, Ryo Hashizume, Miho Hatanaka, Yu-ya Ohnishi, Takamitsu Matsubara, Hiroharu Ajiro, Tetsunori Sugawara, Mikiya Fujii, Tomoyuki Miyao
Publikováno v:
ACS Omega.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5952605cbce1bb95ffdbce145a3ffd1e
https://doi.org/10.1021/acsomega.3c01515
https://doi.org/10.1021/acsomega.3c01515
Autor:
Shogo Takasuka, Shunto Oikawa, Takayoshi Yoshimura, Sho Ito, Yosuke Harashima, Tomoaki Takayama, Shigehito Asano, Akira Kurosawa, Tetsunori Sugawara, Miho Hatanaka, Tomoyuki Miyao, Takamitsu Matsubara, Yu-ya Ohnishi, Hiroharu Ajiro, Mikiya Fujii
Publikováno v:
Digital Discovery.
The study utilized machine learning to predict highly accurate polymer properties, mainly when quantum chemical calculation values were included as variables, thus suggesting a promising tool for accelerating polymer development with new monomers.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0be31787e9592c1ee4ef694b39ae0f1a
https://doi.org/10.1039/d2dd00144f
https://doi.org/10.1039/d2dd00144f
Autor:
Wataru Mizukami, Kosuke Mitarai, Yuya O. Nakagawa, Takahiro Yamamoto, Tennin Yan, Yu-ya Ohnishi
Publikováno v:
Physical Review Research, Vol 2, Iss 3, p 033421 (2020)
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 variationally determines the coupled cluster amplitudes and also molecular orb
Externí odkaz:
https://doaj.org/article/1474f1ee899d4eea8558874dd753ad24
We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE), which is a method to calculate eigenenergies of a given molecular Ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00e0fe5dcd64043f69b7484f3d5235d1
http://arxiv.org/abs/2211.03343
http://arxiv.org/abs/2211.03343
Autor:
Kaito Wada, Rudy Raymond, Yu-ya Ohnishi, Eriko Kaminishi, Michihiko Sugawara, Naoki Yamamoto, Hiroshi C. Watanabe
We propose a novel method to sequentially optimize arbitrary single-qubit gates in parameterized quantum circuits for simulating real and imaginary time evolution. The method utilizes full degrees of freedom of single-qubit gates and therefore can po
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25a46a6eaab90fb8c22f8c1c261c275c
http://arxiv.org/abs/2111.05538
http://arxiv.org/abs/2111.05538