Updated on 2025/04/20

写真a

 
KASAMATSU Shusuke
 
Title
Associate Professor

Graduating School

  • The University of Tokyo, Faculty of Engineering, Department of Materials Engineering

    2008.03, Graduated

Graduate School

  • The University of Tokyo, Graduate School, Division of Engineering, Department of Materials Engineering

    Master's Course, 2010.03, Completed

  • The University of Tokyo, Graduate School, Division of Engineering, Department of Materials Engineering

    Doctor's Course, 2012.09, Completed

External Career

  • The University of Tokyo, Special researcher of the Japan Society for the Promotion of Science, 2010.04 - 2012.11

  • The University of Tokyo, Assistant Professor, 2012.11 - 2018.11

Academic Society Affiliations

  • The Japan Society of Vaccum and Surface Science

  • Japanese Society for Applied Physics

  • The Physical Society of Japan

 

Papers

  • Defect Segregation, Water Layering, and Proton Transfer at Zirconium Oxynitride/Water Interface Examined Using Neural Network Potential, JOURNAL OF PHYSICAL CHEMISTRY C, 129(5) 2403-2420, 2025.01

    Nakanishi, A; Kasamatsu, S; Haruyama, J; Sugino, O

    Single Author

  • Fitting of nonnegative physical models based on statistical divergence: application to thermally stimulated depolarization currents, Science and Technology of Advanced Materials: Methods, 2025.01

    Yasunobu Ando, Shusuke Kasamatsu, Suguru Iwasaki, Yumi Tanaka

    Multiple Authorship (Only Japanese)

  • Emerging computational and machine learning methodologies for proton-conducting oxides: materials discovery and fundamental understanding, SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 25(1) 2416383, 2024.12

    Fujii, S; Hyodo, J; Shitara, K; Kuwabara, A; Kasamatsu, S; Yamazaki, Y

    Single Author

  • Comparison of intermediate-range order in GeO<sub>2</sub> glass: Molecular dynamics using machine-learning interatomic potential vs reverse Monte Carlo fitting to experimental data, JOURNAL OF CHEMICAL PHYSICS, 161(20) , 2024.11

    Matsutani, K; Kasamatsu, S; Usuki, T

    Single Author

  • Configuration sampling in multi-component multi-sublattice systems enabled by ab initio Configuration sampling toolkit (abICS), Science and Technology of Advanced Materials: Methods, 3(1) , 2023.11

    Shusuke Kasamatsu, Yuichi Motoyama, Kazuyoshi Yoshimi, Tatsumi Aoyama

    Single Author

  • Helical magnetic state in the vicinity of the pressure-induced superconducting phase in MnP, Physical Review Research, 5(4) 043026, 2023.10

    Sachith E. Dissanayake, Masaaki Matsuda, Kazuyoshi Yoshimi, Shusuke Kasamatsu, Feng Ye, Songxue Chi, William Steinhardt, Gilberto Fabbris, Sara Haravifard, Jinguang Cheng, Jiaqiang Yan, Jun Gouchi, an...

    Multiple Authorship (Including Foreigners)

  • Probing Local Environments of Oxygen Vacancies Responsible for Hydration in Sc-Doped Barium Zirconates at Elevated Temperatures: In Situ X-ray Absorption Spectroscopy, Thermogravimetry, and Active Learning Ab Initio Replica Exchange Monte Carlo Simulations, CHEMISTRY OF MATERIALS, 35(6) 2289-2301, 2023.03

    Hoshino Kenta, Kasamatsu Shusuke, Hyodo Junji, Yamamoto Kentaro, Setoyama Hiroyuki, Okajima Toshihiro, Yamazaki Yoshihiro

    Single Author

  • Structural Analysis of Amorphous GeO2 under High Pressure Using Reverse Monte Carlo Simulations, Journal of the Physical Society of Japan, 91(12) , 2022.12

    Kenta Matsutani, Asumi Yamauchi, Shusuke Kasamatsu, Takeshi Usuki

    Single Author

  • Effect of Nitrogen Doping and Oxygen Vacancy on the Oxygen Reduction Reaction on the Tetragonal Zirconia(101) Surface, The Journal of Physical Chemistry C, 126(37) 15662-15670, 2022.09

    Shibghatullah Muhammady, Jun Haruyama, Shusuke Kasamatsu, Osamu Sugino

    Single Author

  • Facilitating ab initio configurational sampling of multicomponent solids using an on-lattice neural network model and active learning., The Journal of chemical physics, 157(10) 104114, 2022.09

    Kasamatsu S, Motoyama Y, Yoshimi K, Matsumoto U, Kuwabara A, Ogawa T

    Single Author

  • (Digital Presentation) Tuning Oxygen Reduction on Monoclinic and Tetragonal Zirconia Surfaces Using Oxygen Vacancy and Nitrogen Doping: A Density-Functional Study, ECS Meeting Abstracts, MA2022-01(35) 1517, 2022.07

    Shibghatullah Muhammady, Jun Haruyama, Shusuke Kasamatsu, Osamu Sugino

    Single Author

  • Drastic Reduction of the Solid Electrolyte–Electrode Interface Resistance via Annealing in Battery Form, ACS Applied Materials & Interfaces, 14(2) 2703-2710, 2022.01

    Shigeru Kobayashi, Elvis F. Arguelles, Tetsuroh Shirasawa, Shusuke Kasamatsu, Koji Shimizu, Kazunori Nishio, Yuki Watanabe, Yusuke Kubota, Ryota Shimizu, Satoshi Watanabe, Taro Hitosugi

    Single Author

  • A live imaging system to analyze spatiotemporal dynamics of RNA polymerase II modification in Arabidopsis thaliana, COMMUNICATIONS BIOLOGY, 4(1) 580, 2021.05

    Shibuta Mio K., Sakamoto Takuya, Yamaoka Tamako, Yoshikawa Mayu, Kasamatsu Shusuke, Yagi Noriyoshi, Fujimoto Satoru, Suzuki Takamasa, Uchino Satoshi, Sato Yuko, Kimura Hiroshi, Matsunaga Sachihiro

    Multiple Authorship (Only Japanese)

  • Theoretical study on proton diffusivity in Y-doped BaZrO3 with realistic dopant configurations, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23(10) 5908-5918, 2021.03

    Fujii Takeo, Toyoura Kazuaki, Uda Tetsuya, Kasamatsu Shusuke

    Multiple Authorship (Only Japanese)

  • Monte Carlo Sampling of Configuration Disorder in Crystalline Materials, The Brain & Neural Networks, 28(1) 12-19, 2021.03

    Shusuke Kasamatsu

    Single Author

  • Dopant arrangements in Y-doped BaZrO3 under processing conditions and their impact on proton conduction: a large-scale first-principles thermodynamics study, JOURNAL OF MATERIALS CHEMISTRY A, 8(25) 12674-12686, 2020.07

    Kasamatsu Shusuke, Sugino Osamu, Ogawa Takafumi, Kuwabara Akihide

    Multiple Authorship (Only Japanese)

  • The Surprising Effect of Phenformin on Cutaneous Darkening and Characterization of Its Underlying Mechanism by a Forward Chemical Genetics Approach, INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 21(4) , 2020.02

    Takano, K; Hachiya, A; Murase, D; Kawasaki, A; Uda, H; Kasamatsu, S; Sugai, Y; Takahashi, Y; Hase, T; Ohuchi, A; Suzuki, T

    Single Author

  • First-principles study of Li-ion distribution at gamma-Li3PO4/metal interfaces, PHYSICAL REVIEW MATERIALS, 4(1) , 2020.01

    Shimizu Koji, Liu Wei, Li Wenwen, Kasamatsu Shusuke, Ando Yasunobu, Minamitani Emi, Watanabe Satoshi

    Multiple Authorship (Only Japanese)

  • Scaling Relation of Oxygen Reduction Reaction Intermediates at Defective TiO2 Surfaces, The Journal of Physical Chemistry C, 123(32) 19486-19492, 2019.08

    Yoshiyuki Yamamoto, Shusuke Kasamatsu, Osamu Sugino

    Multiple Authorship (Only Japanese)

  • Hydrogen adsorption on Pt(111) revisited from random phase approximation, JOURNAL OF CHEMICAL PHYSICS, 149(16) 164702, 2018.10

    Yan Lei, Sun Yang, Yamamoto Yoshiyuki, Kasamatsu Shusuke, Hamada Ikutaro, Sugino Osamu

    Multiple Authorship (Including Foreigners)

  • First-principles investigation of polarization and ion conduction mechanisms in hydroxyapatite, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20(13) 8744-8752, 2018.04

    Kasamatsu Shusuke, Sugino Osamu

    Multiple Authorship (Including Foreigners)

  • Experimental realization of two-dimensional Dirac nodal line fermions in monolayer Cu2Si, NATURE COMMUNICATIONS, 8 1007, 2017.10

    Feng Baojie, Fu Botao, Kasamatsu Shusuke, Ito Suguru, Cheng Peng, Liu Cheng-Cheng, Feng Ya, Wu Shilong, Mahatha Sanjoy K., Sheverdyaeva Polina, Moras Paolo, Arita Masashi, Sugino Osamu, Chiang Tai-Cha...

    Multiple Authorship (Including Foreigners)

  • First-principles description of van der Waals bonded spin-polarized systems using the vdW-DF plus U method: Application to solid oxygen at low pressure, PHYSICAL REVIEW B, 95(23) 235120, 2017.06

    Kasamatsu Shusuke, Kato Takeo, Sugino Osamu

    Multiple Authorship (Including Foreigners)

  • Electric field response in bilayer graphene: Ab initio investigation, APPLIED PHYSICS EXPRESS, 9(11) 115104, 2016.11

    Mori Yutaro, Minamitani Emi, Ando Yasunobu, Kasamatsu Shusuke, Watanabe Satoshi

    Multiple Authorship (Including Foreigners)

  • Pressure dependence of the magnetic ground states in MnP, PHYSICAL REVIEW B, 93(10) 100405, 2016.03

    Matsuda M., Ye F., Dissanayake S. E., Cheng J. -G., Chi S., Ma J., Zhou H. D., Yan J. -Q., Kasamatsu S., Sugino O., Kato T., Matsubayashi K., Okada T., Uwatoko Y.

    Multiple Authorship (Including Foreigners)

  • Emergence of Negative Capacitance in Multidomain Ferroelectric-Paraelectric Nanocapacitors at Finite Bias, ADVANCED MATERIALS, 28(2) 335-340, 2016.01

    Kasamatsu Shusuke, Watanabe Satoshi, Hwang Cheol Seong, Han Seungwu

    Multiple Authorship (Including Foreigners)

  • First-principles calculation of charged capacitors under open-circuit conditions using the orbital-separation approach, PHYSICAL REVIEW B, 92(11) 115124, 2015.09

    Kasamatsu Shusuke, Watanabe Satoshi, Han Seungwu

    Multiple Authorship (Including Foreigners)

  • Configuration interaction with antisymmetrized geminal powers, PHYSICAL REVIEW A, 91(6) 062504, 2015.06

    Uemura Wataru, Kasamatsu Shusuke, Sugino Osamu

    Multiple Authorship (Including Foreigners)

  • MateriApps — a Portal Site of Materials Science Simulation, JPS Conference Proceedings, 5 011007 , 2015

    Y. Konishi, R. Igarashi, S. Kasamatsu, T. Kato, N. Kawashima, T. Kawatsu, H. Kouta, M. Noda, S. Sasaki, Y. Terada, S. Todo, S. Tsuchida, K. Yoshimi, K. Yoshizawa

    Multiple Authorship (Including Foreigners)

  • Parallel-sheets model analysis of space charge layer formation at metal/ionic conductor interfaces, SOLID STATE IONICS, 226 62-70, 2012.10

    Kasamatsu Shusuke, Tada Tomofumi, Watanabe Satoshi

    Multiple Authorship (Including Foreigners)

  • Orbital-separation approach for consideration of finite electric bias within density-functional total-energy formalism, PHYSICAL REVIEW B, 84(8) 085120, 2011.08

    Kasamatsu Shusuke, Watanabe Satoshi, Han Seungwu

    Multiple Authorship (Including Foreigners)

  • Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces, SOLID STATE IONICS, 183(1) 20-25, 2011.02

    Kasamatsu Shusuke, Tada Tomofumi, Watanabe Satoshi

    Multiple Authorship (Including Foreigners)

  • First Principles Study of Oxygen Vacancies Near Nickel/Zirconia Interface, e-Journal of Surface Science and Nanotechnology, 8 93, 2010

    S. Kasamatsu, T. Tada, S. Watanabe

    Multiple Authorship (Including Foreigners)

  • Comparative Study of Charged and Neutral Oxygen Vacancies in Cubic Zirconia from First Principles, APPLIED PHYSICS EXPRESS, 2(6) 061402, 2009.06

    Kasamatsu Shusuke, Tada Tomofumi, Watanabe Satoshi

    Multiple Authorship (Including Foreigners)

  • First Principles Study on Electronic Structures of Ni/H/ZrO2 Triple Phase Boundary, ECS Transactions, 16 265, 2009

    T. Tada, S. Kasamatsu, S. Watanabe

    Multiple Authorship (Including Foreigners)

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Books

  • Interface Ionics For All-Solid-State Batteries and Solid State Ionics Devices, Springer Nature, 2024.10

    Shusuke Kasamatsu

Review Papers

  • Computational Approach to Oxide Electrocatalysts, The Japan Society of Vacuum and Surface Science, Vacuum and Surface Science, 66(6) 349-353, 2023.06

    SUGINO Osamu, MUHAMMADY Shibghatullah, HARUYAMA Jun, KASAMATSU Shusuke

  • 圧力誘起超伝導体MnPにおける磁気相互作用の圧力効果, 日本物理学会講演概要集(CD-ROM), 78(2) , 2023

    上床美也, 郷地順, 笠松秀輔, 吉見一慶, DISSANAYAKE Sachith, YE Feng, CHI Songxue, YAN Jiaqiang, CHENG Jinguang, 松田雅昌

  • Introduction to solid state electronic structure calculations for theoretical chemists, 2021.10

  • Some Recent Developments in ab initio Thermodynamics of Ion Disorder in Solids, Activity Report 2020 / Supercomputer Center, Institute for Solid State Physics, The University of Tokyo, 2021.07

    Shusuke Kasamatsu

  • Monte Carlo Sampling of Configuration Disorder in Crystalline Materials, The Brain & Neural Networks, 28(1) 12-19, 2021.03

    Shusuke Kasamatsu

  • First-Principles Calculations of the Capacitance of Nanocapacitors Based on the Orbital Separation Approach, CERAMICS JAPAN, 55(9) 636-639, 2020.09

    Daisuke Hirai, Atsushi Honda, Shusuke Kasamatsu

  • Introduction to a portal site of materials science simulation "MateriApps", The Physical Society of Japan, Meeting Abstracts of the Physical Society of Japan, 73.2 2401, 2018

    Ido Kota, Kasamatsu Shusuke, Kato Takeo, Kawashima Naoki, Todo Synge, Misawa Takahiro, Motoyama Yuichi, Yoshizawa Kanako

  • Capacitance of nanosized capacitors investigated using the orbital-separation approach–dead layer effect and negative capacitance, Activity Report 2015 / Supercomputer Center, Institute for Solid State Physics, The University of Tokyo, 15-26, 2016.06

    Shusuke KASAMATSU, Satoshi WATANABE, Seungwu HAN and Cheol Seong HWANG

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Grant-in-Aid for Scientific Research

  • Grant-in-Aid for Challenging Research (Exploratory)，2023.06 - 2025.03，Pioneering Research of industrial materials informatics for innovative lithium battery anodes

  • Grant-in-Aid for Transformative Research Areas (A)，2023.04 - 2028.03，Promotion of the 1000-Tesla science

  • Grant-in-Aid for New academic field research(Research areas proposal)，2022.04 - 2024.03，First-principles based statistical thermodynamics of space charge at battery interfaces

  • Grant-in-Aid for New academic field research(Research areas proposal)，2020.04 - 2022.03

  • Grant-in-Aid for Scientific Research(B)，2020.04 - 2021.03

  • Grant-in-Aid for Young Scientists，2019.04 - 2023.03

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Other external funds procured

  • Theoretical calculations on the effects of local high electric fields at interface atomic/molecular layers，2015.04 - 2019.03，Theoretical calculations on the effects of local high electric fields at interface atomic/molecular layers

    Changes of behaviors of electrons and atoms due to applied electric fields in the interface regions within the thickness of several atomic/molecular layers and atomic layers like bilayer graphene have been examined using several reliable computational methods. Various findings have been obtained such as the followings: charge density change in an organic molecular layer due to electric fields may be significant only in a part of the molecule; negative dielectric constant may emerge in a metal-ferroelectrics-paraelectrics-metal heterostructure; the region where significant ion distribution change due to electric fields is seen is within the thickness of nanometer scale; how the energy gap changes with electric fields.

    Japan Society for the Promotion of Science

  • First-principles analysis of modification of dielectric response at oxide interfaces，2015.04 - 2019.03，First-principles analysis of modification of dielectric response at oxide interfaces

    In this project, we started with the optimization and development of the "orbital-separation approach" program code for performing first-principles simulation of metal/insulator/metal capacitors under bias in closed-circuit and open-circuit boundary conditions. We then used the developed code to simulate a ferroelectric/paraelectric bilayer capacitor under bias. We found that "negative capacitance" emerges as a result of the dynamics of the ferroelectric polarization domains.
    <BR>
    Furthermore, we developed a simulation framework for directly combining first-principles calculations with replica-exchange Monte Carlo sampling of configurational disorder in solids. This was used to dramatically increase the prediction accuracy of the distribution of defects at oxide interfaces.

    Japan Society for the Promotion of Science

  • Theoretical calculations on the effects of local high electric fields at interface atomic/molecular layers，2015.04 - 2019.03，Theoretical calculations on the effects of local high electric fields at interface atomic/molecular layers

    Changes of behaviors of electrons and atoms due to applied electric fields in the interface regions within the thickness of several atomic/molecular layers and atomic layers like bilayer graphene have been examined using several reliable computational methods. Various findings have been obtained such as the followings: charge density change in an organic molecular layer due to electric fields may be significant only in a part of the molecule; negative dielectric constant may emerge in a metal-ferroelectrics-paraelectrics-metal heterostructure; the region where significant ion distribution change due to electric fields is seen is within the thickness of nanometer scale; how the energy gap changes with electric fields.

    Japan Society for the Promotion of Science

  • First-principles analysis of modification of dielectric response at oxide interfaces，2015.04 - 2019.03，First-principles analysis of modification of dielectric response at oxide interfaces

    In this project, we started with the optimization and development of the "orbital-separation approach" program code for performing first-principles simulation of metal/insulator/metal capacitors under bias in closed-circuit and open-circuit boundary conditions. We then used the developed code to simulate a ferroelectric/paraelectric bilayer capacitor under bias. We found that "negative capacitance" emerges as a result of the dynamics of the ferroelectric polarization domains.
    <BR>
    Furthermore, we developed a simulation framework for directly combining first-principles calculations with replica-exchange Monte Carlo sampling of configurational disorder in solids. This was used to dramatically increase the prediction accuracy of the distribution of defects at oxide interfaces.

    Japan Society for the Promotion of Science

Presentations

  • International Conference and Exposition on Advanced Ceramics and Composites, International presentation, 2023.01, Oral presentation (invited, special)