Mizukami Wataru 水上渉

Researcher Number	10732969
Other IDs
Affiliation (Current)	2025: 大阪大学, 量子情報・量子生命研究センター, 教授
Affiliation (based on the past Project Information) *help	2024 – 2025: 大阪大学, 量子情報・量子生命研究センター, 教授 2021 – 2024: 大阪大学, 量子情報・量子生命研究センター, 准教授 2019 – 2020: 大阪大学, 先導的学際研究機構, 特任准教授(常勤) 2016 – 2018: 九州大学, 総合理工学研究院, 助教 2015: 九州大学, 総合理工学研究科(研究院), 助教
Review Section/Research Field	Principal Investigator Transformative Research Areas, Section (II) / Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields / Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry Except Principal Investigator Transformative Research Areas, Section (II)
Keywords	Principal Investigator 量子古典混合アルゴリズム / 機械学習波動関数 / 量子コンピュータ / 第一原理計算 / QM/MM / 量子化学 / 量子古典融合アルゴリズム / Classical Shadows / 量子古典ハイブリッドアルゴリズム / 物性物理 … More / QSCI / 計算物質科学 / 量子回路 / 量子計算物質科学 / ニューラルネット / 量子インスパイアド / 変分モンテカルロ / 量子インスパイアード / 制限ボルツマンマシン / フェルミオン影像法 / CAFQA / Clifford回路 / スタビライザー状態 / Fermionic Shadows / 相対論的量子化学 / スタビライザー / クリフォード回路 / 量子インスパイアードアルゴリズム / 励起状態 / 多参照摂動論 / カロテノイド / 量子化学計算 / VQE / 溶媒和効果 / 変分量子固有値法 / 機械学習ポテンシャル / 計算化学 / 電子状態理論 / 多参照理論 / 量子モンテカルロ法 / 分極可能力場 / 分子力場 / 反応経路 / 水素移動反応 / 拡散モンテカルロ / 量子ダイナミクス / ポテンシャル面 / ガウス過程 / インスタントン / ONIOM / 核の量子効果 / 機械学習 / ポテンシャル曲面 … More Except Principal Investigator 量子古典融合アルゴリズム / 量子情報 / 量子埋め込み理論 Less

Computational materials science based on quantum-classical hybrid algorithms
- Principal Investigator
  
  品岡寛
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Saitama University
Designing quantum circuits for computational materials sciencePrincipal Investigator
- Principal Investigator
  
  水上渉
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  The University of Osaka
Exploring relativistic quantum chemistry with 'quantum inspired' algorithmsPrincipal Investigator
- Principal Investigator
  
  Mizukami Wataru
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields
- Research Institution
  Osaka University
Investigation of excited state dynamics of carotenoid via multi-reference perturbation theory using the Unsold approximation.Principal Investigator
- Principal Investigator
  
  Mizukami Wataru
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Osaka University
  Kyushu University
Exploration of quantum effects on proton transfer reactions in biomolecules via the determination of reaction pathwaysPrincipal Investigator
- Principal Investigator
  
  Mizukami Wataru
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University

All 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015

All Journal Article Presentation

[Journal Article] Universal neural network potentials as descriptors: Towards scalable chemical property prediction using quantum and classical computers2024
- Author(s)
  Shiota Tomoya, Ishihara Kenji, Mizukami Wataru
- Journal Title
  
  arXiv
  
  Volume: 2402.18433
- Open Access
- Data Source
  KAKENHI-PLANNED-23H03819
[Journal Article] Universal neural network potentials as descriptors: Towards scalable chemical property prediction using quantum and classical computers2024
- Author(s)
  Shiota Tomoya, Ishihara Kenji, Mizukami Wataru
- Journal Title
  
  arXiv
  
  Volume: 2402.18433
- Data Source
  KAKENHI-PROJECT-21K18933
[Journal Article] Solvent Distribution Effects on Quantum Chemical Calculations with Quantum Computers2024
- Author(s)
  Yoshida Yuichiro、Mizukami Wataru、Yoshida Norio
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 20 Issue: 5 Pages: 1962-1971
- DOI
  10.1021/acs.jctc.3c01189
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K18933, KAKENHI-PLANNED-22H05089, KAKENHI-PLANNED-23H03819
[Journal Article] Coupled cluster method tailored with quantum computing2023
- Author(s)
  Erhart Luca, Yoshida Yuichiro, Khinevich Viktor, Mizukami Wataru
- Journal Title
  
  arXiv
  
  Volume: 2312.11012
- Open Access
- Data Source
  KAKENHI-PLANNED-23H03819
[Journal Article] ADAPT-QSCI: Adaptive Construction of Input State for Quantum-Selected Configuration Interaction2023
- Author(s)
  Nakagawa Yuya O., Kamoshita Masahiko, Mizukami Wataru, Sudo Shotaro, Ohnishi Yu-ya
- Journal Title
  
  arXiv
  
  Volume: 2311.01105
- Open Access
- Data Source
  KAKENHI-PLANNED-23H03819
[Journal Article] ADAPT-QSCI: Adaptive Construction of Input State for Quantum-Selected Configuration Interaction2023
- Author(s)
  Nakagawa Yuya O., Kamoshita Masahiko, Mizukami Wataru, Sudo Shotaro, Ohnishi Yu-ya
- Journal Title
  
  arXiv
  
  Volume: 2311.01105
- Data Source
  KAKENHI-PROJECT-21K18933
[Journal Article] Coupled cluster method tailored with quantum computing2023
- Author(s)
  Erhart Luca, Yoshida Yuichiro, Khinevich Viktor, Mizukami Wataru
- Journal Title
  
  arXiv
  
  Volume: 2312.11012
- Data Source
  KAKENHI-PROJECT-21K18933
[Journal Article] Balancing error budget for fermionic k-RDM estimation2023
- Author(s)
  Takemori Nayuta, Teranishi Yusuke, Mizukami Wataru, Yoshioka Nobuyuki
- Journal Title
  
  arXiv
  
  Volume: 2312.17452
- Open Access
- Data Source
  KAKENHI-PLANNED-23H03819
[Journal Article] Balancing error budget for fermionic k-RDM estimation2023
- Author(s)
  Takemori Nayuta, Teranishi Yusuke, Mizukami Wataru, Yoshioka Nobuyuki
- Journal Title
  
  arXiv
  
  Volume: 2312.17452
- Data Source
  KAKENHI-PROJECT-21K18933
[Journal Article] Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models2023
- Author(s)
  Sakurai Rihito, Backhouse Oliver J., Booth George H., Mizukami Wataru, Shinaoka Hiroshi
- Journal Title
  
  arXiv
  
  Volume: 2312.04105
- Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-23H03819
[Journal Article] Variational quantum simulation for periodic materials2022
- Author(s)
  Yoshioka Nobuyuki、Sato Takeshi、Nakagawa Yuya O.、Ohnishi Yu-ya、Mizukami Wataru
- Journal Title
  
  Physical Review Research
  
  Volume: 4 Issue: 1
- DOI
  10.1103/physrevresearch.4.013052
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K14181, KAKENHI-PROJECT-21K18903
[Journal Article] Deep Variational Quantum Eigensolver: A Divide-And-Conquer Method for Solving a Larger Problem with Smaller Size Quantum Computers2022
- Author(s)
  Fujii Keisuke、Mizuta Kaoru、Ueda Hiroshi、Mitarai Kosuke、Mizukami Wataru、Nakagawa Yuya O.
- Journal Title
  
  PRX Quantum
  
  Volume: 3 Issue: 1 Pages: 10346-10346
- DOI
  10.1103/prxquantum.3.010346
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K14359, KAKENHI-PROJECT-18K14181, KAKENHI-PLANNED-21H05191, KAKENHI-PROJECT-20J12930, KAKENHI-PROJECT-21H04446
[Journal Article] Analytical Energy Gradient for State-Averaged Orbital-Optimized Variational Quantum Eigensolvers and Its Application to a Photochemical Reaction2022
- Author(s)
  Omiya Keita、Nakagawa Yuya O.、Koh Sho、Mizukami Wataru、Gao Qi、Kobayashi Takao
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 18 Issue: 2 Pages: 741-748
- DOI
  10.1021/acs.jctc.1c00877
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Quantifying Fermionic Nonlinearity of Quantum Circuits2021
- Author(s)
  Shigeo Hakkaku, Yuichiro Tashima, Kosuke Mitarai, Wataru Mizukami, Keisuke Fujii
- Journal Title
  
  arXiv
  
  Volume: -
- Open Access
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Solving quasiparticle band spectra of real solids using neural-network quantum states2021
- Author(s)
  Yoshioka Nobuyuki、Mizukami Wataru、Nori Franco
- Journal Title
  
  Communications Physics
  
  Volume: 4 Issue: 1 Pages: 1-8
- DOI
  10.1038/s42005-021-00609-0
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K14181, KAKENHI-PROJECT-20H00134
[Journal Article] Universal noise-precision relations in variational quantum algorithms2021
- Author(s)
  Kosuke Ito, Wataru Mizukami, Keisuke Fujii
- Journal Title
  
  arXiv
  
  Volume: -
- Open Access
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Neural-Network Quantum States for the Electronic Structure of Real Solids2020
- Author(s)
  Yoshioka Nobuyuki, Mizukami Wataru, Nori Franco
- Journal Title
  
  arXiv
  
  Volume: 2010.01358 Pages: 1-8
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Orbital optimized unitary coupled cluster theory for quantum computer2020
- Author(s)
  Mizukami Wataru、Mitarai Kosuke、Nakagawa Yuya O.、Yamamoto Takahiro、Yan Tennin、Ohnishi Yu-ya
- Journal Title
  
  Physical Review Research
  
  Volume: 2 Issue: 3 Pages: 033421-033421
- DOI
  10.1103/physrevresearch.2.033421
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Deep Variational Quantum Eigensolver: a divide-and-conquer method for solving a larger problem with smaller size quantum computers2020
- Author(s)
  Fujii Kiesuke, Mitarai Kosuke, Mizukami Mizukami, Nakagawa Yuya O.
- Journal Title
  
  arXiv
  
  Volume: 2007.10917 Pages: 1-8
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Microscopic Hopping Mechanism of an Isolated PTCDA Molecule on a Reactive Ge(001) Surface2020
- Author(s)
  Shiota Tomoya、Mizukami Wataru、Tochihara Hiroshi、Yagyu Kazuma、Suzuki Takayuki、Aoki Yuriko
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 124 Issue: 45 Pages: 24704-24712
- DOI
  10.1021/acs.jpcc.0c05858
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14181, KAKENHI-PROJECT-20H00588
[Journal Article] Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers2020
- Author(s)
  Mashkovtsev Denis、Mizukami Wataru、Korchowiec Jacek、Stachowicz‐Ku?nierz Anna、Aoki Yuriko
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 41 Issue: 25 Pages: 2203-2212
- DOI
  10.1002/jcc.26389
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K14181, KAKENHI-PROJECT-20H00588
[Journal Article] Variational Quantum Simulation for Periodic Materials2020
- Author(s)
  Yoshioka Nobuyuki, Nakagawa Yuya O., Ohnishi Yu-ya, Mizukami Wataru
- Journal Title
  
  arXiv
  
  Volume: 2008.09492 Pages: 1-6
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Theory of analytical energy derivatives for the variational quantum eigensolver2020
- Author(s)
  Mitarai Kosuke、Nakagawa Yuya O.、Mizukami Wataru
- Journal Title
  
  Physical Review Research
  
  Volume: 2 Issue: 1 Pages: 013129-013129
- DOI
  10.1103/physrevresearch.2.013129
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K14181, KAKENHI-PROJECT-19J10978
[Journal Article] Orbital optimized unitary coupled cluster theory for quantum computer2019
- Author(s)
  Mizukami Wataru, Mitarai Kosuke, Nakagawa Yuya O. , Yamamoto Takahiro, Yan Tennin, Ohnishi Yu-ya
- Journal Title
  
  arXiv
  
  Volume: 1910.11526 Pages: 1-8
- Open Access
- Data Source
  KAKENHI-PROJECT-18K14181
[Journal Article] Unveiling the amphiphilic nature of TMAO by vibrational sum frequency generation spectroscopy2016
- Author(s)
  Tatsuhiko Ohto, Ellen H. G. Backus, Wataru Mizukami, Johannes Hunger, Mischa Bonn and Yuki Nagata
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 120 Issue: 31 Pages: 17435-17443
- DOI
  10.1021/acs.jpcc.6b04852
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00835, KAKENHI-PROJECT-15K17815, KAKENHI-PROJECT-16K17855
[Journal Article] Relativistic Internally Contracted Multireference Electron Correlation Methods2015
- Author(s)
  Toru Shiozak and Wataru Mizukami
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 11 Issue: 10 Pages: 4733-4739
- DOI
  10.1021/acs.jctc.5b00754
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] 量子コンピュータを用いた第一原理計算の現在地: 古典計算と量子計算の差異と協奏2022
- Author(s)
  水上渉
- Organizer
  シンポジウム「計算科学と実験科学が導く量子物質研究の最先端
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] フェルミオン影像法によるk-RDM推定を用いた量子部分空間展開法2022
- Author(s)
  竹森那由多, 吉岡信行, 水上渉
- Organizer
  第47回量子情報技術研究会 (QIT47)
- Data Source
  KAKENHI-PROJECT-21K18933
[Presentation] 確率的手法を用いた量子化学計算：ニューラルネットワークと量子コンピュータの利用2022
- Author(s)
  水上渉
- Organizer
  京都大学福井謙一記念研究センターオンラインシンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 量子回路のfermionic nonlinearityの定量化2022
- Author(s)
  八角繁男, 田島由一朗, 御手洗光祐, 水上渉, 藤井啓祐
- Organizer
  第5回量子ソフトウェア研究発表会
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] Expanding the applicability of the variational quantum eigensolver towards the practical quantum chemical calculations2022
- Author(s)
  Wataru Mizukami
- Organizer
  The 5th China-Japan-Korea Workshop on Theoretical and Computational Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 量子コンピュータと量子化学: 量子生命への応用を目指して2021
- Author(s)
  水上渉
- Organizer
  量子生命科学会第３回大会
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] computing time-independent molecular properties using variational (quantum) algorithms2021
- Author(s)
  Wataru Mizukami
- Organizer
  Quantum Techniques in Machine Learning 2021
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 変分量子固有値法による第一原理量子化学計算の展開2020
- Author(s)
  水上渉
- Organizer
  物性研究所短期研究会「量子多体計算と第一原理計算の新展開」Frontiers of Quantum Computational Science
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 量子コンピュータの応用先としての計算化学: 近年の研究と展望2020
- Author(s)
  水上渉
- Organizer
  第27回量子情報関西 Student Chapter
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 変分量子固有値法を用いた分子の静的物性値計算2020
- Author(s)
  水上渉, 御手洗光祐, 中川裕也
- Organizer
  日本物理学会第75回年次大会
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] Towards Realistic Simulations of Materials on Quantum Computers2020
- Author(s)
  Wataru Mizukami
- Organizer
  More Innovations in Quantum Information Technologies
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 量子コンピューティングと理論化学:その可能性と2021年時点での課題2020
- Author(s)
  水上渉
- Organizer
  日本化学会第101春季年会併催シンポジウム「３０年後の夢をかなえる理論化学」
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 量子化学計算の高速化を量子コンピュータで: アルゴリズム開発の現状と展望2020
- Author(s)
  水上渉
- Organizer
  CSJ化学フェスタ2020
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] NISQに向けた Orbital Optimized Variatonal Quantum Eigensolver の開発2019
- Author(s)
  水上渉, 御手洗光祐, 中川裕也, 楊天任, 大西祐也
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 軌道を最適化した変分量子固有値法の開発と多参照摂動論への接続2019
- Author(s)
  水上渉, 御手洗光祐, 中川裕也, 楊天任, 大西祐也
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] Computing molecular properties using variational quantum eigensolver”2019
- Author(s)
  水上渉
- Organizer
  TCQC2019
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 第一原理振動状態理論による高精度分子振動計算2019
- Author(s)
  水上渉
- Organizer
  九重分子科学セミナー
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] 量子化学における量子コンピュータへの期待2019
- Author(s)
  水上渉
- Organizer
  分野横断ワークショップ　「量子コンピュータ研究開発の現在とこれから」
- Invited
- Data Source
  KAKENHI-PROJECT-18K14181
[Presentation] H2Oを介したO2-I-間の電荷移動励起についての理論的研究2018
- Author(s)
  水上渉，薮下彰啓 , 原田明，青木百合子
- Organizer
  第１２回分子科学討論会
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] 第一原理振動状態理論の開発：生体分子における量子現象解明を目指して2018
- Author(s)
  水上　渉
- Organizer
  QIQBセミナー
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] 少数原子系の精密理論振動分光2017
- Author(s)
  水上渉
- Organizer
  北大理論化学研究会：実践理論化学の最前線
- Invited
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] 精密振動状態理論: 理論はどこまで精確になったか？2017
- Author(s)
  水上渉
- Organizer
  第4回電子状態理論シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] 振動波動関数理論によるC-H振動の解読: 「凝縮系の理論化学」を機とする共同研究2017
- Author(s)
  水上渉
- Organizer
  凝縮系の理論化学2018
- Invited
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] Modeling molecular interactions in halogen-bonding cocrystal2016
- Author(s)
  Wataru Mizukami and Yuriko Aoki
- Organizer
  International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems ( MSCRS2016)
- Place of Presentation
  Nagoya University, Nagoya, Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] 振動状態理論と半大域ポテンシャルの構築2016
- Author(s)
  水上渉
- Organizer
  凝縮系の理論化学
- Place of Presentation
  琉球大学
- Year and Date
  2016-03-10
- Invited
- Data Source
  KAKENHI-PROJECT-15K17815
[Presentation] Analysis and modeling of molecular interactions in halogen-bonded cocrystal2015
- Author(s)
  Mizukami, Wataru; Matsubara, Ken; Aoki, Yuriko
- Organizer
  The 51st Symposium on Theoretical Chemistry
- Place of Presentation
  ドイツ
- Year and Date
  2015-09-20
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K17815

1. 藤堂眞治 (10291337)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. 品岡寛 (40773023)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 大久保毅 (00514051)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 北谷基治 (50871331)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 播木敦 (90875783)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 御手洗光祐 (50855111)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 杉崎研司 (70514529)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 大戸達彦

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
9. 上田宏

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Mizukami Wataru 水上 渉

Research Projects

Research Products

Co-Researchers

Computational materials science based on quantum-classical hybrid algorithms

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Designing quantum circuits for computational materials sciencePrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Exploring relativistic quantum chemistry with 'quantum inspired' algorithmsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

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Investigation of excited state dynamics of carotenoid via multi-reference perturbation theory using the Unsold approximation.Principal Investigator

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Exploration of quantum effects on proton transfer reactions in biomolecules via the determination of reaction pathwaysPrincipal Investigator

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[Journal Article] Universal neural network potentials as descriptors: Towards scalable chemical property prediction using quantum and classical computers2024

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[Journal Article] Universal neural network potentials as descriptors: Towards scalable chemical property prediction using quantum and classical computers2024

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[Journal Article] Solvent Distribution Effects on Quantum Chemical Calculations with Quantum Computers2024

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[Journal Article] Coupled cluster method tailored with quantum computing2023

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[Journal Article] ADAPT-QSCI: Adaptive Construction of Input State for Quantum-Selected Configuration Interaction2023

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[Journal Article] ADAPT-QSCI: Adaptive Construction of Input State for Quantum-Selected Configuration Interaction2023

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[Journal Article] Coupled cluster method tailored with quantum computing2023

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[Journal Article] Balancing error budget for fermionic k-RDM estimation2023

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[Journal Article] Balancing error budget for fermionic k-RDM estimation2023

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[Journal Article] Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models2023

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[Journal Article] Variational quantum simulation for periodic materials2022

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Mizukami Wataru 水上渉