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

https://www.chem.tsukuba.ac.jp/ymlab/index.html

研究室

計算情報化学

研究分野

生物物理・化学物理・ソフトマターの物理
物理化学

研究キーワード

化学グラフ理論
量子化学
計算化学
理論化学

研究課題

高周期元素環状π共役系分子群の創出と電子状態解明に基づく機能性分子デザインの革新	2026-04 -- 2031-03	笹森 貴裕	日本学術振興会/基盤研究(S)	195,780,000円
メゾヒエラルキー理論	2023-04 -- 2028-03	重田 育照	日本学術振興会/学術変革領域研究(A)	130,520,000円
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

2025-06	BCSJ Award	Understanding the transition from reversed to conventional conductance decay in single-molecule wires from the effective Hamiltonian and frontier orbital perspective
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

• Ion-pairing-modulated magnetic properties of thiaporphyrin Cu^II complex cations
  Fujita Masaki; Horita Hiroki; Furukawa Ko; Sugimoto K...
  Chemical science/17(36)/pp.17269-17278, 2026-09-23
  
  PubMed
• Nature of Adsorption of Amino Acids and Precursors on Interstellar Amorphous Solid Water
  Natsuki Watanabe; Yuta Hori; Kazuki Okazawa; Yasuteru ...
  Monthly Notices of the Royal Astronomical Society/544(4)/pp.3173-3179, 2025-11
• A machine learning approach to designing and understanding tough, degradable polyamides
  Yoshifumi Amamoto; Chie Koganemaru; Ken Kojio; Atsushi...
  npj Computational Materials/11/p.198, 2025-07
• 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
  
  PubMed
• 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
  
  PubMed
• 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
  
  PubMed
• 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
  
  PubMed
• 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
  
  PubMed
• 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
  
  PubMed
• 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
  
  PubMed
• 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
  
  PubMed
• 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
  
  CiNii
• 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
  
  PubMed
• さらに表示...

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

担当授業科目

2026-10 -- 2026-11	物理化学演習II	筑波大学
2026-07 -- 2026-08	物理化学演習II	筑波大学
2026-10 -- 2027-02	物理化学特別研究IIIA	筑波大学
2026-04 -- 2026-08	共同研究V	筑波大学
2026-04 -- 2026-08	物理学インターンシップII	筑波大学
2026-10 -- 2027-02	物理化学特別研究IA	筑波大学
2026-10 -- 2027-02	物理化学特別研究VB	筑波大学
2026-10 -- 2027-02	物理化学特別研究IIB	筑波大学
2026-10 -- 2027-02	共同研究IV	筑波大学
2026-04 -- 2026-08	共同研究III	筑波大学
さらに表示...

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: 2026-10-01)