Makito Takagi

Profile Information

Affiliation: 特任助教, 横浜市立大学

Degree: 博士(総合化学)(Mar, 2019, 北海道大学)

J-GLOBAL ID: 201501056314059710
researchmap Member ID: B000247086

Research Interests

Research Areas

Nanotechnology/Materials / Basic physical chemistry /

Research History

Jun, 2019 - Present

Graduate School of Nanobioscience, Graduate, Yokohama City University
Apr, 2019 - Mar, 2020

日本学術振興会特別研究員 (PD)
Apr, 2018 - Mar, 2019

日本学術振興会特別研究員 (DC2)
Oct, 2014 - Mar, 2019

物質科学フロンティアを開拓するAmbitiousリーダー育成プログラム

Education

Apr, 2016 - Mar, 2019

Graduate School of Chemical Sciences and Engineering, Hokkaido University
Apr, 2014 - Mar, 2016

Graduate School of Chemical Sciences and Engineering, Hokkaido University
Apr, 2010 - Mar, 2014

Chemistry, School of Science, Hokkaido University

Awards

Oct, 2018

第12回分子科学討論会（福岡）2018 分子科学会優秀ポスター賞

高木牧人
Oct, 2017

Car-Parrinello Molecular Dynamics in 2017 Best Poster Award
Dec, 2016

第6回CSJ化学フェスタ2016優秀ポスター発表賞
Feb, 2016

FCC Poster award
Sep, 2014

平成26年度夏季日本化学会北海道支部優秀講演賞

高木牧人

Papers

Structural H/D isotope effect in excess proton/deuteron in light/heavy water solvent by using path integral molecular dynamics simulation

Kazuki Tatenuma, Makito Takagi, Tomomi Shimazaki, Masanori Tachikawa

Bull. Chem. Soc. Jpn, in press, Oct, 2023
Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects

Takumi Naito, Makito Takagi, Masanori Tachikawa, Koichi Yamashita, Tomomi Shimazaki

The Journal of Physical Chemistry Letters, 14(19) 6695-6701, Jul 19, 2023 Peer-reviewed
Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species

Yuki Akinaga, Tokuhisa Kawawaki, Hinano Kameko, Yuki Yamazaki, Kenji Yamazaki, Yuhi Nakayasu, Kosaku Kato, Yuto Tanaka, Adie Tri Hanindriyo, Makito Takagi …

Advanced Functional Materials, 33 202303321, May 8, 2023 Peer-reviewed
Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster

Sota Funaki, Tokuhisa Kawawaki, Tomoshige Okada, Kana Takemae, Sakiat Hossain, Yoshiki Niihori, Takumi Naito, Makito Takagi, Tomomi Shimazaki, Soichi Kikkawa …

Nanoscale, 15(11) 5201-5208, 2023 Peer-reviewed
Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n (n = 1 – 5)

Miku Furushima, Makito Takagi, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa

Physical Chemistry Chemical Physics, 25(1) 625-632, 2023 Peer-reviewed
Fullerene C₇₀/porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties

Takatsugu Wakahara, Kahori Nagaoka, Chika Hirata, Kun'ichi Miyazawa, Kazuko Fujii, Yoshitaka Matsushita, Osamu Ito, Makito Takagi, Tomomi Shimazaki, Masanori Tachikawa …

RSC Advances, 12(30) 19548-19553, 2022 Peer-reviewed
Ambipolar to unipolar irreversible switching in nanosheet transistors: the role of ferrocene in fullerene/ferrocene nanosheets

Dorra Mahdaoui, Chika Hirata, Kahori Nagaoka, Kun’ichi Miyazawa, Kazuko Fujii, Toshihiro Ando, Manef Abderrabba, Osamu Ito, Makito Takagi, Takayoshi Ishimoto …

Journal of Materials Chemistry C, 10(10) 3770-3774, 2022 Peer-reviewed
Global Search for Crystal Structures of Carbon under High Pressure

Makito Takagi, Satoshi Maeda

ACS Omega, 5(29) 118142-18147, Jul 14, 2020 Peer-reviewedLead author
One-Dimensional Fullerene/Porphyrin Cocrystals: Near-Infrared Light Sensing through Component Interactions

Takatsugu Wakahara, Kahori Nagaoka, Akari Nakagawa, Chika Hirata, Yoshitaka Matsushita, Kun’ichi Miyazawa, Osamu Ito, Yoshiki Wada, Makito Takagi, Takayoshi Ishimoto …

ACS Applied Materials & Interfaces, 12(2) 2878-2883, Jan 15, 2020 Peer-reviewed
Computational searches for crystal structures of dioxides of group 14 elements (CO2, SiO2, GeO2) under ultrahigh pressure

Hitoshi Nabata, Makito Takagi, Kenichiro Saita, Satoshi Maeda

RSC Advances, 10(37) 22156-22163, 2020 Peer-reviewed
One-Minute Joule Annealing Enhances the Thermoelectric Properties of Carbon Nanotube Yarns via the Formation of Graphene at the Interface

Masaki Hada, Taisuke Hasegawa, Hirotaka Inoue, Makito Takagi, Kazuki Omoto, Daiki Chujo, Shogo Iemoto, Taihei Kuroda, Taiga Morimoto, Takuma Hayashi …

ACS APPLIED ENERGY MATERIALS, 2(10) 7700-7708, Oct, 2019 Peer-reviewed
Structural and Electronic Properties, Isomerization, and NO Dissociation Reactions on Au, Ag, Cu Clusters

Y. Kondo, R. Takahara, H. Mohri, M. Takagi, S. Maeda, T. Iwasa, T. Taketsugu

J. Comput. Chem. Jap., 18(1) 64-69, Feb, 2019 Peer-reviewed
Understanding CO oxidation on the Pt(111) surface based on reaction route network

Kanami Sugiyama, Yosuke Sumiya, Makito Takagi, Kenichiro Saita, Satoshi Maeda

Physical Chemistry Chemical Physics, 21(26) 14366-14375, Jan, 2019 Peer-reviewed
A Systematic Study on Bond Activation Energies of NO, N₂, and O₂ on Hexamers of Eight Transition Metals

T. Ichino, M. Takagi, S. Maeda

ChemCatChem, 11(4) 1346-1353, Jan, 2019 Peer-reviewed
A Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13

T. Iwasa, T. Sato, M. Takagi, M. Gao, A. Lyalin, M. Kobayashi, K. Shimizu, S. Maeda, T. Taketsugu

J. Phys. Chem. A, 123(1) 210-217, Jan, 2019 Peer-reviewed
Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal

K. Saita, M. Takagi, Y. Harabuchi, H. Okada, S. Maeda

J. Chem. Phys., 149(7) 072329-1-072329-9, Jun, 2018 Peer-reviewed
Implementation and performance of the artificial force induced reaction method in the GRRM17 program

Satoshi Maeda, Yu Harabuchi, Makito Takagi, Kenichiro Saita, Kimichi Suzuki, Tomoya Ichino, Yosuke Sumiya, Kanami Sugiyama, Yuriko Ono

JOURNAL OF COMPUTATIONAL CHEMISTRY, 39(4) 233-250, Feb, 2018 Peer-reviewed
Global reaction route mapping for surface adsorbed molecules: A case study for H2O on Cu(111) surface

Satoshi Maeda, Kanami Sugiyama, Yosuke Sumiya, Makito Takagi, Kenichiro Saita

Chemistry Letters, 47(4) 396-399, 2018 Peer-reviewed
Global search for low-lying crystal structures using the artificial force induced reaction method: A case study on carbon

Makito Takagi, Tetsuya Taketsugu, Hiori Kino, Yoshitaka Tateyama, Kiyoyuki Terakura, Satoshi Maeda

PHYSICAL REVIEW B, 95(18) 184110-1-184110-11, May, 2017 Peer-reviewedLead author
Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces

Satoshi Maeda, Yu Harabuchi, Makito Takagi, Tetsuya Taketsugu, Keiji Morokuma

CHEMICAL RECORD, 16(5) 2232-2248, Oct, 2016 Peer-reviewed

Misc.

Pt(111)表面によるCO酸化に対する反応経路ネットワークとその解析

杉山佳奈美, 高木牧人, 斉田謙一郎, 前田理, 武次徹也

日本化学会春季年会講演予稿集(CD-ROM), 97th ROMBUNNO.4A8‐06, Mar 3, 2017
Specifying primary factors in the catalytic activity of metal clusters based on quantum chemical calculations and machine learning

Kobayashi Masato, Iwasa Takeshi, Gao Min, Takagi Makito, Maeda Satoshi, Taketsugu Tetsuya

Proceedings of the Symposium on Chemoinformatics, 2016 O18, 2016

Presentations

Theoretical study of the molecular passivation effect of Lewis base/acid on Sn perovskite surface defects

Makito Takagi, Takumi Naito, Masanori Tachikawa, Koichi Yamashita, Tomomi Shimazaki

Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP24), Jan 22, 2024
Theoretical study on excess proton/deuteron in light/heavy water solvent by using path integral molecular dynamics method

Makito Takagi, Kazuki Tatenuma, Tomomi Shimazaki, Masanori Tachikawa

The 5th conference of Theory and Applications of Computational Chemistry (TACC2023), Sep 9, 2023
経路積分分子動力学法を用いた軽水/重水溶媒中でのH+/D+に関する理論的解析

高木牧人, 蓼沼一輝, 島崎智実, 立川仁典

第25回理論化学討論会, May 19, 2023
Systematic Crystal Structure Prediction by Artificial Force Induced Reaction Method: A case study on carbon crystal

Makito Takagi, Satoshi Maeda, Masanori Tachikawa

JTTCC2019, Oct 11, 2019 Invited
Crystal structure prediction by artificial force induced reaction method: Applications to silicon carbide

Makito Takagi, Satoshi Maeda, Masanori Tachikawa

APATCC2019, Oct 1, 2019
人工力誘起反応法を用いた炭化ケイ素の結晶構造予測

高木牧人, 前田理, 立川仁典

第13回分子科学討論会2018名古屋, Sep 18, 2019
人工力誘起反応法を用いた結晶構造予測: 炭化ケイ素への適用

高木牧人, 前田理, 立川仁典

シンポジウム「化学反応経路探索のニューフロンティア2019」, Sep 16, 2019
人工力誘起反応法を用いた高圧条件下での結晶構造探索

高木牧人, 前田理

第22回理論化学討論会, May 28, 2019
炭素結晶構造の網羅探索と物性に基づく解析：構造の特徴とバンドギャップの相関

高木牧人, 前田理

シンポジウム「化学反応経路探索のニューフロンティア2018」, Sep 14, 2018
炭素結晶の構造の特徴とバンドギャップの相関

高木牧人, 前田理

第12回分子科学討論会2018福岡, Sep 13, 2018
人工力誘起反応法による結晶の速度論的安定性の予測: Cco-C₈(Z-Carbon)への適用

高木牧人, 住谷陽輔, 前田理

第21回理論化学討論会, May 15, 2018
Crystal structure prediction by Artificial Force Induced Reaction method: A case study on carbon crystal

Takagi Makito, Maeda Satoshi

International Congress on Pure & Applied Chemistry (ICPAC) 2018, Mar 10, 2018
Exhaustive search for carbon crystal structures by artificial force induced reaction method

Takagi Makito, Maeda Satoshi

Car-Parrinello Molecular Dynamics in 2017, Oct 19, 2017
Global Phase-transition Route Mapping of Carbon

Makito Takagi, Satoshi Maeda

Sep 17, 2017
グローバル相転移反応経路地図に基づく結晶構造の安定性予測：炭素結晶への適用

高木牧人, 前田理

シンポジウム「化学反応経路探索のニューフロンティア２０１７」, Sep 14, 2017
Global Search for Periodic Structures of Carbon by Artificial Force Induced Reaction Method

Takagi Makito, Maeda Satoshi

WATOC2017, Aug 27, 2017
Exploration of Periodic Carbon Structure by Artificial Force Induced Reaction Method

Takagi, Makito, Taketsugu, Tetsuya, Maeda, Satoshi

HU-JKU Joint symposium 2017, Feb 22, 2017
AFIR 法と周期境界条件を用いた結晶構造予測: 炭素結晶への適用

高木牧人, 前田理, 武次徹也

公開シンポジウム「相対論的量子化学の新しい発展：元素戦略の基盤理論の構築と革新的機能材料設計」, Dec 13, 2016
反応経路自動探索法による炭素の結晶構造予測

高木牧人, 前田理, 武次徹也

第6回CSJ化学フェスタ2016, Nov 14, 2016
人工力誘起反応法を用いた窒化ホウ素の結晶構造探索

高木牧人, 前田理, 武次徹也

第10回分子科学討論会2016神戸, Sep 13, 2016

Research Projects

経路積分分子動力学法を用いた超微細結合定数の精密予測: thioaceton系分子の系統解析

研究助成金, 公益財団法人横浜学術教育振興財団, Aug, 2021 - Mar, 2022
反応経路自動探索法の周期系への拡張と結晶の特性予測

日本学術振興会: 科学研究費（特別研究員奨励費）, Apr, 2018 - Mar, 2020

高木牧人

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Education

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