Personal information

Ab initio molecular dynamics, Reaction path, Dimension reduction, Reaction Space Projector (ReSPer), Excited state calculation

Biography

Dr. Takuro Tsutsumi received his Ph.D. in Science from Hokkaido University in 2021. He is now a specially appointed assistant professor at the Faculty of Science, Hokkaido University. His research interest is in the development of chemical reaction analysis methods that incorporate reaction path and reaction dynamics analyses, especially utilizing dimensionality reduction techniques. He is also working on ab initio molecular dynamics in the excited state, publishing papers in collaboration with spectroscopy researchers. He was supported by the Japan Society for the Promotion of Science (JSPS) as a Research Fellowship for Young Scientists (DC1) and the Hokkaido University “Ambitious Leader’s Program.”

Activities

Employment (6)

Hokkaido University: Sapporo, Hokkaidô, JP

2023-04-01 to present | Assistant Professor (Department of Chemistry, Faculty of Science)
Employment
Source: Self-asserted source
Takuro Tsutsumi

Hokkaido University: Sapporo, Hokkaido, JP

2022-04-01 to 2023-03-31 | Specially Appointed Assistant Professor (Department of Chemistry, Faculty of Science)
Employment
Source: Self-asserted source
Takuro Tsutsumi

Hokkaido University: Sapporo, Hokkaidô, JP

2022-04-01 to 2023-03-31 | Specially Appointed Assistant Professor (Creative Research Institution L-Station)
Employment
Source: Self-asserted source
Takuro Tsutsumi

Hokkaido University: Sapporo, Hokkaido, JP

2021-04-01 to 2022-03-31 | Postdoctoral Research Fellow (Department of Chemistry, Faculty of Science)
Employment
Source: Self-asserted source
Takuro Tsutsumi

Japan Society for the Promotion of Science: Tokyo, JP

2018-04-01 to 2021-03-31 | Research Fellowship for Young Scientists (DC1)
Employment
Source: Self-asserted source
Takuro Tsutsumi

Hokkaido University: Sapporo, Hokkaidô, JP

2016-10-01 to 2021-03-31 | Ambitious Leader's Program
Employment
Source: Self-asserted source
Takuro Tsutsumi

Education and qualifications (4)

Hokkaido University: Sapporo, Hokkaidô, JP

2018-04-01 to 2021-03-31 | Doctor of Philosophy (Graduate School of Chemical Sciences and Engineering)
Education
Source: Self-asserted source
Takuro Tsutsumi

Hokkaido University: Sapporo, Hokkaidô, JP

2016-04-01 to 2021-03-31 | Ambitious Leader's Program
Education
Source: Self-asserted source
Takuro Tsutsumi

Hokkaido University: Sapporo, Hokkaidô, JP

2016-04-01 to 2018-03-31 | Master of Science (Graduate School of Chemical Sciences and Engineering)
Education
Source: Self-asserted source
Takuro Tsutsumi

Hokkaido University: Sapporo, Hokkaidô, JP

2012-04-01 to 2016-03-31 | Bachelor of Science (Faculty of Chemistry, School of Science)
Education
Source: Self-asserted source
Takuro Tsutsumi

Professional activities (3)

Springer Nature: Singapore, MY

2021-12 | Springer Theses
Distinction
Source: Self-asserted source
Takuro Tsutsumi

Japan Society of Theoretical Chemistry: Tokyo, JP

2019-06 | 22nd Symposium on Theoretical Chemistry Best Poster Award
Distinction
Source: Self-asserted source
Takuro Tsutsumi

Japan Society of Theoretical Chemistry: Tokyo, JP

2018-06 | 21st Symposium on Theoretical Chemistry Best Oral Award
Distinction
Source: Self-asserted source
Takuro Tsutsumi

Funding (3)

構造活性相関解析が拓く機能性高分子開発

2023-04-01 to 2025-03-31 | Grant
Japan Science and Technology Agency (Tokyo, JP)
GRANT_NUMBER: JPMJAX23DE
Source: Self-asserted source
Takuro Tsutsumi via DimensionsWizard

Development of reaction dynamics analysis based on reduced-dimensionality potential energy surface and application to photochemical reaction

2022-04 to 2026-03 | Grant
Japan Society for the Promotion of Science (Chiyoda-ku, Koji-machi, Tokyo, JP)
GRANT_NUMBER:

22K14640

Source: Self-asserted source
Takuro Tsutsumi

Ab initio molecular dynamics analysis based on reaction route map: extension to excited state dynamics

2018-04 to 2021-03 | Grant
Japan Society for the Promotion of Science (Chiyoda-ku, Koji-machi, Tokyo, JP)
GRANT_NUMBER:

18J20856

Source: Self-asserted source
Takuro Tsutsumi

Works (25)

Development of Complete Enumeration Program for Polymer Structural Isomers: A Case of Nylon-n (n = 3-10)

2024-05-24 | Preprint
Contributors: Gikyo Usuki; Takuro Tsutsumi; Kohei Hasebe; Masato Kobayashi; Keitaro Matsuoka; Tetsuya Taketsugu; Kazuki Sada
Source: check_circle
Crossref

Ab initio molecular dynamics study of intersystem crossing dynamics for <scp>MH<sub>2</sub></scp> (M = Si, Ge, Sn, Pb) on spin‐pure and spin‐mixed potential energy surfaces

Journal of Computational Chemistry
2024-04-05 | Journal article | Author
Part of ISSN: 0192-8651
Part of ISSN: 1096-987X
Contributors: Satoi Wada; Takuro Tsutsumi; Kenichiro Saita; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Front Cover

Journal of Computational Chemistry
2024-04-05 | Journal article
Contributors: Satoi Wada; Takuro Tsutsumi; Kenichiro Saita; Tetsuya Taketsugu
Source: check_circle
Crossref

Low-Dimensional Projection of Reactive Islands in Chemical Reaction Dynamics Using a Supervised Dimensionality Reduction Method

2024-03 | Preprint
Contributors: Ryoichi Tanaka; Yuta Mizuno; Takuro Tsutsumi; Mikito Toda; Tetsuya Taketsugu; Tamiki Komatsuzaki
Source: Self-asserted source
Takuro Tsutsumi

Ultrafast Raman observation of the perpendicular intermediate phantom state of stilbene photoisomerization

Nature Chemistry
2024-01 | Journal article | Author
Part of ISSN: 1755-4330
Part of ISSN: 1755-4349
Contributors: Hikaru Kuramochi; Takuro Tsutsumi; Kenichiro Saita; Zhengrong Wei; Masahisa Osawa; Pardeep Kumar; Li LIU; Satoshi Takeuchi; Tetsuya Taketsugu; Tahei Tahara
Source: Self-asserted source
Takuro Tsutsumi

Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map

Springer Nature Singapore
2023 | Book
Part of ISSN: 2190-5053
Part of ISSN: 2190-5061
Contributors: Takuro Tsutsumi
Source: Self-asserted source
Takuro Tsutsumi

Total and orbital density‐based analyses of molecules revealing long‐range interaction regions

Journal of Computational Chemistry
2023-12-05 | Journal article | Author
Part of ISSN: 0192-8651
Part of ISSN: 1096-987X
Contributors: Masatoshi Hasebe; Takuro Tsutsumi; Tetsuya Taketsugu; Takao Tsuneda
Source: Self-asserted source
Takuro Tsutsumi

Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry

Journal of Computational Chemistry
2023-01-15 | Journal article
Part of ISSN: 0192-8651
Part of ISSN: 1096-987X
Contributors: Takao Tsuneda; Hiroki Sumitomo; Masatoshi Hasebe; Takuro Tsutsumi; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Natural reaction orbitals for characterizing electron transfer responsive to nuclear coordinate displacement

Physical Chemistry Chemical Physics
2022 | Journal article
Part of ISSN: 1463-9076
Part of ISSN: 1463-9084
Contributors: Shuichi Ebisawa; Masatoshi Hasebe; Takuro Tsutsumi; Takao Tsuneda; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space

2022 | Book chapter
Contributors: Takuro Tsutsumi; Yuriko Ono; Tetsuya Taketsugu
Source: check_circle
Crossref

On-the-Fly Excited-State Molecular Dynamics Study Based on Spin-Flip Time-Dependent Density Functional Theory Approach: Photo-Branching Reaction of Stilbene and Stilbene Derivatives

Time-Dependent Density Functional Theory
2022-12-29 | Book chapter
Contributors: Tetsuya Taketsugu; Takuro Tsutsumi; Yu Harabuchi; Takao Tsuneda
Source: Self-asserted source
Takuro Tsutsumi

Multi-state Energy Landscape for Photoreaction of Stilbene and Dimethyl-stilbene

Journal of Chemical Theory and Computation
2022-12-13 | Journal article
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Takuro Tsutsumi; Yuriko Ono; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Theoretical study of carbon isotope effects in the nonclassical carbonyl cation CO/[M(CO) ]+ (M = Cu, Ag, Au; n = 1–4)

Chemical Physics Letters
2022-11 | Journal article
Part of ISSN: 0009-2614
Contributors: Yuriko Ono; Takuro Tsutsumi; Yu Harabuchi; Tetsuya Taketsugu; Yasuhiko Fujii
Source: Self-asserted source
Takuro Tsutsumi

Dynamically Hidden Reaction Paths in the Reaction of CF<sub>3</sub><sup>+</sup> + CO

ACS Physical Chemistry Au
2022-09-28 | Journal article
Part of ISSN: 2694-2445
Part of ISSN: 2694-2445
Contributors: Kohei Oda; Takuro Tsutsumi; Srihari Keshavamurthy; Kenji Furuya; P. B. Armentrout; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Extension of natural reaction orbital approach to multiconfigurational wavefunctions

The Journal of Chemical Physics
2022-08-28 | Journal article | Author
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Shuichi Ebisawa; Takuro Tsutsumi; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space

Topics in Current Chemistry
2022-05 | Journal article | Author
Part of ISSN: 2365-0869
Part of ISSN: 2364-8961
Contributors: Takuro Tsutsumi; Yuriko Ono; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Visualization of reaction route map and dynamical trajectory in reduced dimension

Chemical Communications
2021 | Journal article | Author
Part of ISSN: 1359-7345
Part of ISSN: 1364-548X
Contributors: Takuro Tsutsumi; Yuriko Ono; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

One-to-One Correspondence between Reaction Pathways and Reactive Orbitals

Journal of Chemical Theory and Computation
2021-11-09 | Journal article
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Masatoshi Hasebe; Takuro Tsutsumi; Tetsuya Taketsugu; Takao Tsuneda
Source: Self-asserted source
Takuro Tsutsumi

Switching the relaxation pathway by steric effects in conjugated dienes

Journal of Physics B: Atomic, Molecular and Optical Physics
2021-09-08 | Journal article | Author
Part of ISSN: 0953-4075
Part of ISSN: 1361-6455
Contributors: Tateharu Tentaku; Ryunosuke Atobe; Takuro Tsutsumi; Sota Satoh; Yu Harabuchi; Tetsuya Taketsugu; Taro Sekikawa
Source: Self-asserted source
Takuro Tsutsumi

Real-Time Probing of an Atmospheric Photochemical Reaction by Ultrashort Extreme Ultraviolet Pulses: Nitrous Acid Release from <i>o</i>-Nitrophenol

The Journal of Physical Chemistry Letters
2021-01-14 | Journal article
Part of ISSN: 1948-7185
Part of ISSN: 1948-7185
Contributors: Yuki Nitta; Oliver Schalk; Hironori Igarashi; Satoi Wada; Takuro Tsutsumi; Kenichiro Saita; Tetsuya Taketsugu; Taro Sekikawa
Source: Self-asserted source
Takuro Tsutsumi

Geometric analysis of anharmonic downward distortion following paths

Journal of Computational Chemistry
2021-01-05 | Journal article
Part of ISSN: 0192-8651
Part of ISSN: 1096-987X
Contributors: Shuichi Ebisawa; Takuro Tsutsumi; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Visualization of the Dynamics Effect: Projection of on-the-Fly Trajectories to the Subspace Spanned by the Static Reaction Path Network

Journal of Chemical Theory and Computation
2020-07-14 | Journal article
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Takuro Tsutsumi; Yuriko Ono; Zin Arai; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Analyses of trajectory on-the-fly based on the global reaction route map

Physical Chemistry Chemical Physics
2018 | Journal article
Part of ISSN: 1463-9076
Part of ISSN: 1463-9084
Contributors: Takuro Tsutsumi; Yu Harabuchi; Yuriko Ono; Satoshi Maeda; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

On-the-fly molecular dynamics study of the excited-state branching reaction of α-methyl-cis-stilbene

Chemical Physics
2018-11 | Journal article
Part of ISSN: 0301-0104
Contributors: Takuro Tsutsumi; Yu Harabuchi; Rina Yamamoto; Satoshi Maeda; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi

Visualization of the Intrinsic Reaction Coordinate and Global Reaction Route Map by Classical Multidimensional Scaling

Journal of Chemical Theory and Computation
2018-08-14 | Journal article
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Takuro Tsutsumi; Yuriko Ono; Zin Arai; Tetsuya Taketsugu
Source: Self-asserted source
Takuro Tsutsumi