Zobrazeno 1 - 10
of 80
pro vyhledávání: '"Kazuo Toyota"'
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-13 (2022)
Adiabatic state preparation (ASP) can generate correlated wave functions for quantum chemical calculations, but is inherently unsuitable for studying strongly correlated systems. Here, the authors perform numerical simulations of ASP for the ground s
Externí odkaz:
https://doaj.org/article/526a5ccd2bcd41afbf42f9c3a945f45e
Publikováno v:
ACS Central Science, Vol 5, Iss 1, Pp 167-175 (2018)
Externí odkaz:
https://doaj.org/article/7c52068ce737429ebf38aa097e3959b2
Publikováno v:
The Journal of Physical Chemistry Letters. 13:11105-11111
A Bayesian phase difference estimation (BPDE) algorithm allows us to compute the energy gap of two electronic states of a given Hamiltonian directly by utilizing the quantum superposition of their wave functions. Here we report an extension of the BP
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c23dcded2d47451c9702a827e745b1e
https://doi.org/10.1021/acs.jpclett.2c02737
https://doi.org/10.1021/acs.jpclett.2c02737
Autor:
Kazuo Toyota, Satoru Yamamoto, Shigeaki Nakazawa, Koji Maruyama, Kenji Sugisaki, Daisuke Shiomi, Kazunobu Sato, Elham Hosseini Lapasar, Takeji Takui, Taiki Shibata
Publikováno v:
Applied Magnetic Resonance. 53(3-5):777-796
Quantum state control is one of the most important concepts in advanced quantum technology, emerging quantum cybernetics and related fields. Molecular open shell entities can be a testing ground for implementing quantum control technology enabling us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7efe202d4053ba20f6f7c28b79193660
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_16137507-53-3_5-777
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_16137507-53-3_5-777
Quantum Algorithm for Full Configuration Interaction Calculations without Controlled Time Evolutions
Publikováno v:
The Journal of Physical Chemistry Letters. 12(45):11085-11089
研究チームは、原子・分子の全エネルギーを計算する新規量子アルゴリズムを開発しました。今回開発した量子アルゴリズムは従来法よりも量子ゲートの並列実行性に優れ、量子コンピ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8517408c49c66ac4301d96ec564d3a9f
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_19487185-12-45-11085
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_19487185-12-45-11085
Publikováno v:
Physical Chemistry Chemical Physics. 23(36):20152-20162
研究チームは、量子コンピュータを用いて原子・分子の任意のエネルギー差を直接計算できる量子アルゴリズムを開発しました。開発した量子アルゴリズムは、量子化学計算だけでなく
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f8de629484bed854ec8ddb2aa14c82a
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_14639084-23-36-20152
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_14639084-23-36-20152
Publikováno v:
The Journal of Physical Chemistry Letters. 12(11):2880-2885
研究チームは、量子コンピュータを用いてスピン量子数が異なる電子状態(スピン状態)間のエネルギー差を直接計算できる量子アルゴリズムを改良し、量子コンピュータ実機に実装しや
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2586119e5d92f7921174563cd139e7d
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_19487185-12-11-2880
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_19487185-12-11-2880
Publikováno v:
Physical Chemistry Chemical Physics. 22(37):20990-20994
研究チームは、量子コンピュータを用いて分子の量子化学計算を行ったときに、望んでいるスピン量子数を持つ波動関数を正しく得るための新規手法として、「スピン汚染」(望んでいな
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d7ef503394c35a398bb7bcea21061ca
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_14639084-22-37-20990
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_14639084-22-37-20990
Autor:
Nobuaki Nakashima, Kosei Kitagawa, Takashi Kawaguchi, Tomoyuki Yatsuhashi, Masatoshi Kozaki, Keiji Okada, Kazuo Toyota
Publikováno v:
The journal of physical chemistry. A. 125(36)
Coulomb explosion imaging, which is the reconstruction of a molecular structure by measuring the three-dimensional momenta of atomic ions formed by a Coulomb explosion of multiply charged molecular cations (MMCs), has been utilized widely. In contras
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::645d26925349dbf532b00255e3dbb785
https://pubmed.ncbi.nlm.nih.gov/34491746
https://pubmed.ncbi.nlm.nih.gov/34491746
Publikováno v:
Tetrahedron Letters. 108:154131
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::161b3ec00ac4fac01fb94cd36d9db06b
https://doi.org/10.1016/j.tetlet.2022.154131
https://doi.org/10.1016/j.tetlet.2022.154131