岡澤 一樹(オカザワ カズキ)
- 所属
- 数理物質系
- 職名
- 助教
- ORCID
- 0000-0001-6515-4367
- URL
- 研究室
- 計算情報化学
- 研究課題
積層芳香族性単一分子接合における量子干渉の発現メカニズムに関する理論的研究 2025-04 -- 2028-03 岡澤 一樹 日本学術振興会/若手研究 4,810,000円 - 職歴
2025-04 -- (現在) 筑波大学数理物質系助教 2024-04 -- 2025-03 筑波大学計算科学研究センター助教 2023-04 -- 2024-03 日本学術振興会特別研究員（DC2） - 取得学位
2024-03 博士（工学） 九州大学 - 所属学協会
2022-04 -- (現在) 理論化学会 2019-11 -- (現在) 日本化学会 2019-04 -- (現在) 分子科学会 - 受賞
2022-11 第45回ケモインフォマティクス討論会 優秀ポスター賞 - 論文
- Understanding the transition from reversed to conventional conductance decay in single-molecule wires from the effective Hamiltonian and frontier orbital perspective
Okazawa Kazuki; Tsuji Yuta; Yoshizawa Kazunari
Bulletin of Chemical Society of Japan/98(5)/p.uoaf040, 2025-05 - Pseudo[3]rotaxane and [3]Rotaxane of Per(5-carboxy-5-dehydroxymethyl)-Cyclodextrins Utilizing Carboxylic Acid Dimer as Recognition Units
Nakamura Takashi; Kuwabara Masamune; Zhang Haoyang; Ok...
The Journal of Organic Chemistry/90(10)/pp.3603-3609, 2025-03 - σ Interference: Through-Space and Through-Bond Dichotomy
Tsuji Yuta; Okazawa Kazuki; Tatsumi Toshinobu; Yoshiza...
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY/Epub, 2024-10-24 - Density Functional Theory Study of Adhesion Mechanism between Epoxy Resins Cured with 4,4′-Diaminodiphenyl Sulfone and 4,4′-Diaminodiphenylmethane and Carboxyl Functionalized Carbon Fiber
Shrestha Amit; Sumiya Yosuke; Okazawa Kazuki; Tsuji Y...
LANGMUIR/40(41)/pp.21573-21586, 2024-10-03 - Thiourea as a “Polar Hydrophobic” Hydrogen-Bonding Motif: Application to Highly Durable All-Underwater Adhesion
Kikkawa Kohei; Sumiya Yosuke; Okazawa Kazuki; Yoshizaw...
Journal of the American Chemical Society/146(30)/pp.21168-21175, 2024-07 - Complexation-Triggered Fluctuation of π-Conjugation on an Antiaromatic Dicyanoanthracene Dianion
Imagawa Taiki; Okazawa Kazuki; Yoshizawa Kazunari; Yos...
Chemistry (Weinheim an der Bergstrasse, Germany)/29(70), 2023-12-14 - Hückel Molecular Orbital Analysis for Stability and Instability of Stacked Aromatic and Stacked Antiaromatic Systems
Tsuji Yuta; Okazawa Kazuki; Yoshizawa Kazunari
The Journal of organic chemistry/88(21)/pp.14887-14898, 2023-11-03 - Exploring Metal Nanocluster Catalysts for Ammonia Synthesis Using Informatics Methods: A Concerted Effort of Bayesian Optimization, Swarm Intelligence, and First-Principles Computation
Tsuji Yuta; Yoshioka Yuta; Okazawa Kazuki; Yoshizawa ...
ACS omega/8(33)/pp.30335-30348, 2023-08-22 - Frontier Orbital Views of Stacked Aromaticity
Okazawa Kazuki; Tsuji Yuta; Yoshizawa Kazunari
The journal of physical chemistry. A/127(22)/pp.4780-4786, 2023-06-08 - Molecular Understanding of Adhesion of Epoxy Resin to Graphene and Graphene Oxide Surfaces in Terms of Orbital Interactions
Shrestha Amit; Sumiya Yosuke; Okazawa Kazuki; Uwabe T...
Langmuir : the ACS journal of surfaces and colloids/39(15)/pp.5514-5526, 2023-04-18 - Mechanistic origins of accelerated hydrogenation of mixed alkylaromatics by synchronised adsorption over Rh/SiO2
Cherkasov Nikolay; Asano Shunsaku; Tsuji Yuta; Okazawa...
Reaction Chemistry & Engineering/8(6)/pp.1341-1348, 2023-03 - Extraordinary Acceleration of an Electrophilic Reaction Driven by the Polar Surface of 2D Aluminosilicate Nanosheets
L Torad Nagy; Tsuji Yuta; Alowasheeir Azhar; Momotake ...
Small (Weinheim an der Bergstrasse, Germany)/19(11), 2023-03-01 - 積層芳香族性を有するπスタック単分子接合の伝導特性に関する理論的研究
岡澤 一樹; 辻 雄太; 吉澤 一成
日本コンピュータ化学会, 2023-01 - Exploring the Optimal Alloy for Nitrogen Activation by Combining Bayesian Optimization with Density Functional Theory Calculations
Okazawa Kazuki; Tsuji Yuta; Kurino Keita; Yoshida Mas...
ACS omega/7(49)/pp.45403-45408, 2022-12-13 - Graph-theoretical exploration of the relation between conductivity and connectivity in heteroatom-containing single-molecule junctions
Okazawa Kazuki; Tsuji Yuta; Yoshizawa Kazunari
The Journal of chemical physics/156(9), 2022-03-07 - Topology Dictates Magnetic and Conductive Properties of a π-Stacked System: Insight into Possible Coexistence of Magnetic and Conductive Systems
Tsuji Yuta; Okazawa Kazuki; Kurino Keita; Yoshizawa K...
The Journal of Physical Chemistry C/126(6)/pp.3244-3256, 2022-01 - Electronic Origin of Catalytic Activity of TiH2 for Ammonia Synthesis
Tsuji Yuta; Okazawa Kazuki; Kobayashi Yoji; Kageyama ...
The Journal of Physical Chemistry C/125(7)/pp.3948-3960, 2021-02 - Mechanical Control of Molecular Conductance and Diradical Character in Bond Stretching and π-Stack Compression
Tsuji Yuta; Okazawa Kazuki; Chen Bo; Yoshizawa Kazunari
The Journal of Physical Chemistry C/124(42)/pp.22941-22958, 2020-09 - ヘテロ原子を含んだ単分子接合の導電性に関するグラフ理論的研究
岡澤 一樹; 辻 雄太; 吉澤 一成
Journal of Computer Chemistry, Japan/19(4)/pp.158-160, 2020 - Understanding Single-Molecule Parallel Circuits on the Basis of Frontier Orbital Theory
Okazawa Kazuki; Tsuji Yuta; Yoshizawa Kazunari
The Journal of Physical Chemistry C/124(5)/pp.3322-3331, 2020-01 - Time-resolved infrared study of photo-induced ring-closure reaction of trans-2-hydroxychalcone
Kondoh Masato; Takizawa Chinatsu; Okazawa Kazuki; Akas...
Journal of Photochemistry and Photobiology A: Chemistry/389/p.112280, 2019-12 - Photo-Induced Ring-Opening Reaction of Flav-3-en-2-ol Monitored by Time-Resolved Infrared Spectroscopy
Masato Kondoh; Sakuta Akira; Okazawa Kazuki; Akase Da...
Journal of Physical Chemistry B/123(40)/pp.8499-8504, 2019-10 - 芳香族単分子並列回路の電気伝導度とフロンティア軌道の関係
岡澤 一樹; 辻 雄太; 吉澤 一成
Journal of Computer Chemistry, Japan/18(5)/pp.227-229, 2019
- Understanding the transition from reversed to conventional conductance decay in single-molecule wires from the effective Hamiltonian and frontier orbital perspective
- 会議発表等
- 逆減衰単一分子ワイヤーの分子設計/超分子集合体の構造予測
岡澤 一樹
凝縮系の理論化学2025/2025-03-10--2025-03-11
- 逆減衰単一分子ワイヤーの分子設計/超分子集合体の構造予測
- 担当授業科目
2025-10 -- 2025-12 物理化学演習III 筑波大学 2025-10 -- 2025-12 物理化学演習II 筑波大学 2025-04 -- 2025-06 化学実験I 筑波大学 2024-10 -- 2024-12 計算物理学IV 筑波大学 - 学協会等委員
2024-04 -- 2024-05 理論化学会 第26回理論化学討論会実行委員
(最終更新日: 2025-06-04)