Yoshikawa Takeshi

ヨシカワタケシ | Yoshikawa Takeshi

Affiliation and department：
Job title： Associate Professor

Research field (1)： Basic physical chemistry

Research theme for competitive and other funds (3)：

2020 - 2023 大規模励起状態ダイナミクスの開発及び光活性イエロータンパク質への実践的応用
2018 - 2023 Clarification of Ubiquitous Proton Function in Photoreceptive Proteins by Quantum Molecular Dynamics Simulations
2013 - 2015 大規模分子シミュレーションによる高機能性光学物質の理論設計

Papers (39)：

Ryusei Nishimura, Takeshi Yoshikawa, Ken Sakata, Hiromi Nakai. Excitation configuration analysis for divide-and-conquer excited-state calculation method using dynamical polarizability. The Journal of Chemical Physics. 2024. 160. 24
Takahiro Sawano, Kazuki Urasawa, Ryosuke Sugiura, Kaito Aoyama, Kaito Sugahara, Koito Tanaka, Hiromi Hosaka, Masami Kaneko, Yuzo Yoshida, Eri Ishikawa, et al. Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of Bithiophen-Linked Diynes with Nitriles: Scope and Mechanistic Study with Quantum Chemical Calculation. The Journal of Organic Chemistry. 2024
Manabu Hatano, Kisara Kuwano, Riho Asukai, Ayako Nagayoshi, Haruka Hoshihara, Tsubasa Hirata, Miho Umezawa, Sahori Tsubaki, Takeshi Yoshikawa, Ken Sakata. Zinc chloride-catalyzed Grignard addition reaction of aromatic nitriles. Chemical Science. 2024. 15. 8569-8577
Hiroki Toda, Ryoichi Kanega, Tasuku Yano, Takeshi Yoshikawa, Shogo Kuriyama, Yuichiro Himeda, Ken Sakata, Yoshiaki Nishibayashi. Electrochemical Ammonia Oxidation Catalysed by Ruthenium Complexes: Investigation of Substituent Effect of Axial Pyridine Ligands. Chemistry Letters. 2024
Takashi Okitsu, Takeshi Yoshikawa, Mai Morohashi, Kokoro Aoki, Takayuki Yakura, Ken Sakata, Manabu Hatano. Boron Trifluoride-Mediated Domino Dehydration/Electrophilic Cyclization of Silylalkynols Leading to 2,3-Fused Tricyclic Benzofulvenes. Organic Letters. 2024

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MISC (8)：

Ryusei NISHIMURA, Takeshi YOSHIKAWA, Ken SAKATA, Hiromi NAKAI. Excitation Configuration Analysis for Excited-state Calculation Method Using Dynamical Polarizability. Journal of Computer Chemistry, Japan. 2024. 23. 3. 62-64
Hiromi Nakai, Masato Kobayashi, Takeshi Yoshikawa, Junji Seino, Yasuhiro Ikabata, Yoshifumi Nishimura. Divide-and-Conquer Linear-Scaling Quantum Chemical Computations. The Journal of Physical Chemistry A. 2023. 127. 3. 589-618
Yasuhiro IKABATA, Takeshi YOSHIKAWA, Hiromi NAKAI, Kentaro OGAWA, Ken SAKATA. スピン反転凍結軌道解析を用いた円錐交差構造の支配因子に関する理論的研究. Journal of Computer Chemistry, Japan. 2023. 22. 2. 41-49
TAKANASHI Tomoya, YOSHIKAWA Takeshi, NAKAI Hiromi. Development of Quantum Algorithm qUCC-LR for Excited-State Calculation Using Dynamic Polarizability. Journal of Computer Chemistry, Japan. 2021. 20. 4. 140-143
西村好史, 吉川武司, 中井浩巳. DCDFTBMDプログラムの公開. Journal of Computer Chemistry, Japan. 2019. 17. 5. A21-A27

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Books (1)：

Fragmentation: toward accurate calculations on complex molecular systems
Wiley 2017

Lectures and oral presentations (4)：

大規模励起状態分子シミュレーションの開発と応用
(先端化学・材料技術部会コンピュータケミストリ分科会 2023)
大規模量子化学計算の開発と量子計算への適用に向けて
(QIQBシンポジウム「量子化学と量子情報・量子生命の接点」 2019)
GPU-Accelerated Large-Scale Excited-State Simulation Based on Divide-and-Conquer Time-Dependent Density-Functional Tight-Binding
(8th ADAC Workshop 2019)
Excited-state calculation method using dynamical polarizabilities for large systems based on divide-and-conquer method
(China-Japan-Korea tripartite Workshop on Theoretical and Computational Chemistry 2017)

Education (3)：

Professional career (1)：

Work history (6)：

2020/04 - 現在 Toho University Faculty of Pharmaceutical Sciences Faculty of Pharmaceutical Sciences Associate Professor
2020/04 - 現在 Waseda University Research Institute for Science and Engineering
2019/04 - 2020/03 Waseda University Facutly of Science and Engineering Lecturer
2018/04 - 2019/03 Waseda University School of Advanced Science and Engineering
2016/04 - 2018/03 Waseda University Department of Chemistry and Biochemistry, School of Advanced Science and Engineering Assistant Professor

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Committee career (1)：

Awards (2)：

Association Membership(s) (5)：

理論化学会 , 日本コンピュータ化学会 , 日本薬学会 , 分子科学会 , 日本化学会

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