Minoru Otani

Profile Information

Affiliation: Professor, Center for Computational Sciences, University of Tsukuba

J-GLOBAL ID: 200901091906262650
researchmap Member ID: 6000009758

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Research Interests

Research Areas

Research History

Apr, 2021 - Present

Professor, Center for Computational Sciences, University of Tsukuba
Nov, 2015 - Mar, 2021

Team Leader, Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology
Apr, 2015 - Oct, 2015

National Institute of Advanced Industrial Science and Technology
Nov, 2013 - Mar, 2015

National Institute of Advanced Industrial Science and Technology
Oct, 2013 - Oct, 2013

National Institute of Advanced Industrial Science and Technology
Oct, 2012 - Sep, 2013

National Institute of Advanced Industrial Science and Technology
Apr, 2010 - Sep, 2012

National Institute of Advanced Industrial Science and Technology
Apr, 2008 - Mar, 2010

National Institute of Advanced Industrial Science and Technology
Apr, 2007 - Mar, 2008

Research assistant, Institute of Solid State Physics, The University of Tokyo
Oct, 2003 - Mar, 2007

Research assistant, Institute of Solid State Physics, The University of Tokyo
Apr, 2001 - Sep, 2003

Research assistant, Institute of Physics, University of Tsukuba
Apr, 2000 - Mar, 2001

JSPS Research Fellowship for Young Scientists, The Institute for Solid State Physics, The University of Tokyo
Jan, 1999 - Mar, 2000

JSPS Research Fellowship for Young Scientists, Graduate School of Engineering Science, Osaka University

Education

Apr, 1995 - Mar, 2000

Graduate School of Engineering Science, Osaka University
Apr, 1991 - Mar, 1995

School of Engineering Science, Osaka University

Committee Memberships

Apr, 2020 - Present

代表理事, 一般社団法人電気化学界面シミュレーションコンソーシアム
Jan, 2018 - Mar, 2020

理事, 一般社団法人電気化学界面シミュレーションコンソーシアム

Awards

Papers

106

(Invited) Study of Electrochemical Interfaces Using DFT and the Classical Liquid Theory Hybrid Simulations

Minoru Otani

ECS Meeting Abstracts, Dec 22, 2023
Structural changes in the lithium cobalt dioxide electrode: A combined approach with cluster expansion and Bayesian optimization

Kuroda, Fumiaki, Hagiwara, Satoshi, Otani, Minoru

Physical Review Materials, 7 115402-1-115402-8, Nov, 2023 Peer-reviewed
Electrocatalytic Mechanisms for an Oxygen Evolution Reaction at a Rhombohedral Boron Monosulfide Electrode/Alkaline Medium Interface

Hagiwara, Satoshi, Kuroda, Fumiaki, Kondo, Takahiro, Otani, Minoru

ACS Appl. Mater. Interfaces, 15 50174-50184, Oct, 2023 Peer-reviewedCorresponding author
A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid–Liquid Interface

Taisuke, Hasegawa, Satoshi, Hagiwara, Minoru, Otani, Satoshi, Maeda

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 14(39) 8796-8804, Sep, 2023
Boron monosulfide as an electrocatalyst for the oxygen evolution reaction

Li, Linghui, Hagiwara, Satoshi, Jiang, Cheng, Kusaka, Haruki, Watanabe, Norinobu, Fujita, Takeshi, Kuroda, Fumiaki, Yamamoto, Akiyasu, Miyakawa, Masashi, Taniguchi, Takashi …

CHEMICAL ENGINEERING JOURNAL, 471 144489, Jul, 2023 Peer-reviewed
First‐Principles Investigation of Charged Germagraphene as a Cathode Material for Dual‐Carbon Batteries

Burcu Yilmaz, Minoru Otani, Tatsumi Ishihara, Taner Akbay

ChemSusChem, Feb 20, 2023
Theoretical Consideration of Side Reactions between the VS₄ Electrode and Carbonate Solvents in Lithium–metal Polysulfide Batteries

Satoshi HAGIWARA, Jun HARUYAMA, Minoru OTANI, Yuki UMEMURA, Tomonari TAKEUCHI, Hikari SAKAEBE

Electrochemistry, Oct 20, 2022
Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations

Satoshi Hagiwara, Satomichi Nishihara, Fumiaki Kuroda, Minoru Otani

Physical Review Materials, Sep 19, 2022
Theoretical Analysis on the Stability of 1-Pyrenebutanoic Acid Succinimidyl Ester Adsorbed on Graphene

Yasuhiro Oishi, Hirotsugu Ogi, Satoshi Hagiwara, Minoru Otani, Koichi Kusakabe

ACS Omega, 7(35) 31120-31125, Sep 6, 2022
Relationship between Electric Double-Layer Structure of MXene Electrode and Its Surface Functional Groups

Tatau Shimada, Norio Takenaka, Yasunobu Ando, Minoru Otani, Masashi Okubo, Atsuo Yamada

Chemistry of Materials, 34(5) 2069-2075, Mar 8, 2022 Peer-reviewed
Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory

Satoshi Hagiwara, Yasunobu Ando, Yuta Goto, Susumu Shinoki, Minoru Otani

Physical Review Materials, 6(2), Feb 28, 2022
Thermodynamic Analysis of Li-Intercalated Graphite by First-Principles Calculations with Vibrational and Configurational Contributions

Jun Haruyama, Shigeharu Takagi, Keiji Shimoda, Iwao Watanabe, Keitaro Sodeyama, Tamio Ikeshoji, Minoru Otani

The Journal of Physical Chemistry C, 125(51) 27891-27900, Dec 30, 2021 Peer-reviewedLast authorCorresponding author
Computational Investigation of Li-Ion Adsorption on Charged Graphene

Irem Alpaslan, Burcu Yılmaz, Minoru Otani, Tatsumi Ishihara, Taner Akbay

ECS Meeting Abstracts, Oct 19, 2021
Computational Investigation of Electric Field Driven Lithium Intercalation Into Bilayer Graphene

Burcu Yilmaz, Irem Alpaslan, Minoru Otani, Tatsumi Ishihara, Taner Akbay

ECS Meeting Abstracts, Oct 19, 2021
Bias-dependent diffusion of a H2O molecule on metal surfaces by the first-principles method under the grand-canonical ensemble

Satoshi Hagiwara, Chunping Hu, Satomichi Nishihara, Minoru Otani

PHYSICAL REVIEW MATERIALS, 5(6), Jun, 2021 Peer-reviewedLast authorCorresponding author
Study on the free corrosion potential at an interface between an Al electrode and an acidic aqueous NaCl solution through density functional theory combined with the reference interaction site model

Koichi Kano, Satoshi Hagiwara, Takahiro Igarashi, Minoru Otani

Electrochimica Acta, 377 138121-138121, May, 2021 Peer-reviewedLast authorCorresponding author
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms

Maldonado, Alex M., Hagiwara, Satoshi, Choi, Tae Hoon, Eckert, Frank, Schwarz, Kathleen, Sundararaman, Ravishankar, Otani, Minoru, Keith, John A.

The Journal of Physical Chemistry A, 125(1), 2021 Peer-reviewed
Towards Engineering of Solution Microenvironments for the CO ₂ Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional–Continuum Theory

Stephen E Weitzner, Sneha A Akhade, Joel B. Varley, Brandon C. Wood, Eric B. Duoss, Sarah E Baker, Minoru Otani

Journal of Physical Chemistry Letters, 11(10) 4113-4118, 2020 Peer-reviewedLast author
Structural Variation in Carbonate Electrolytes by the Addition of Li Salts Studied by X‐Ray Total Scattering

Koji Kimura, Kouichi Hayashi, Hisao Kiuchi, Masahito Morita, Jun Haruyama, Minoru Otani, Hikari Sakaebe, Fumika Fujisaki, Kazuhiro Mori, Masao Yonemura …

Physica Status Solidi (B), 257(11) 2000100-2000100, 2020 Peer-reviewed
Capacitive versus Pseudocapacitive Storage in MXene

Ando, Yasunobu, Okubo, Masashi, Yamada, Atsuo, Otani, Minoru

Advanced Functional Materials, 30(47), 2020 Peer-reviewed

Misc.

Dependence of cation species and negative-dielectric effect on the electric-double layer capacitance of a MXene electrode

Ando Yasunobu, Sugahara Akira, Kajiyama Satoshi, Otani Minoru, Okubo Masashi, Yamada Atsuo

Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface Science, 2019 3Hp04Y, 2019
7pAS-1 First-principles study of the relation between decomposition of ionic molecules and Fermi-level pinning on charged electrodes

Ando Yasunobu, Kawamura Yoshiumi, Ikeshoji Tamio, Otani Minoru

Meeting abstracts of the Physical Society of Japan, 69(2) 637-637, Aug 22, 2014
29pAK-11 Energetics and electronic structure of potassium doped MoS_2

Cuong Nguyen Thanh, Otani Minoru, Okada Susumu

Meeting abstracts of the Physical Society of Japan, 69(1) 856-856, Mar 5, 2014
Improved modeling of electrified interfaces using the effective screening medium method

Hamada Ikutaro, Sugino Osamu, Bonnet Nicephore, Otani Minoru

Meeting abstracts of the Physical Society of Japan, 68(2) 255-255, Aug 26, 2013
26pXZE-1 Electron-state control of multilayer MoS_2 by electric field

Cuong Nguyen Thanh, Otani Minoru, Okada Susumu

Meeting abstracts of the Physical Society of Japan, 68(1) 592-592, Mar 26, 2013
18pAD-9 First principles molecular dynamics simulation under a constant bias potential

Bonnet Nicephore, Morishita Tetsuya, Sugino Osamu, Otani Minoru

Meeting abstracts of the Physical Society of Japan, 67(2) 234-234, Aug 24, 2012
25pCF-2 Origin of the n-type Transport Behavior of C_<59>N Encapsulated Single-Walled Carbon Nanotube

Cuong Nguyen Thanh, Otani Minoru, Okada Susumu

Meeting abstracts of the Physical Society of Japan, 67(1) 896-896, Mar 5, 2012
28pTA-9 Energetics and electronic structures of graphene adsorbed on (0001) surfaces of SiO_2

Cuong Nguyen Thanh, Otani Minoru, Okada Susumu

Meeting abstracts of the Physical Society of Japan, 66(1) 896-896, Mar 3, 2011
26aRA-7 Electronic structure of h-BN : Carrier injection into NFE state

Okada Susumu, Otani Minoru

Meeting abstracts of the Physical Society of Japan, 65(2) 826-826, Aug 18, 2010
20pEL-11 Periodic error in electronic structure calculations : multipole interaction

Hamada Ikutaro, Otani Minoru, Sugino Osamu, Morikawa Yoshitada

Meeting abstracts of the Physical Society of Japan, 65(1) 285-285, Mar 1, 2010
28aYE-2 Electric field induced semiconductor-metal transition in bilayer graphene

Otani Minoru, Okada Susumu

Meeting abstracts of the Physical Society of Japan, 64(2) 790-790, Aug 18, 2009
First principles molecular dynamics simulation of electrochemical reactions

Solid state physics, 44(1) 55-62, Jan, 2009
22pTA-3 Electric field induced semiconductor-metal transition of bilayer graphene

Otani Minoru, Okada Susumu

Meeting abstracts of the Physical Society of Japan, 63(2) 767-767, Aug 25, 2008
Energetics and Electronic Structures of C_<70>-Peapod

Okada Susumu, Otani Minoru, Oshiyama Atsushi

Meeting abstracts of the Physical Society of Japan, 58(2) 745-745, Aug 15, 2003
First-principle calculation of B diffusion M S1O_2

OTANI Minoru, SHIRAISHI Kenji, OSIYAMA Atsushi

Technical report of IEICE. SDM, 103(149) 7-12, Jun 27, 2003
Stability and electronic structure of peapod

Otani M., Okada S., Oshiyama A.

Meeting abstracts of the Physical Society of Japan, 58(1) 802-802, Mar 6, 2003

Books and Other Publications

First-principles study on oxygen and selenium under high pressures

Otani, Minoru

Mar, 2000

Presentations

r-BS as a promising high-performance metal-free electrocatalyst for OER

Linghui, Li, Satoshi, Hagiwara, Cheng, Jiang, Haruki, Kusaka, Norinobu, Watanabe, Takeshi, Fujita, Akiyasu, Yamamoto, Masashi, Miyakawa, Takashi, Taniguchi, Hideo, Hosono, Fumiaki, Kuroda, Minoru, Otani, Takahiro, Kondo

第15回日本ホウ素・ホウ化物研究会
固液界面における電気化学・触媒反応のシミュレーション技術開発と最近の適用研究

大谷, 実

理研シンポジウム: 計算で物事を理解する予測する Invited
第一原理計算と溶液理論の融合による電気化学界面シミュレーション：電池材料や腐食への応用

大谷, 実

固体イオニクス研究会 Invited

Professional Memberships

- Present

The Electrochemical Society of Japan (ＥＣＳＪ)
- Present

THE PHYSICAL SOCIETY OF JAPAN

Research Projects

物理-化学連携による持続的成長に向けた高機能・長寿命材料の探索・制御

スーパーコンピュータ「富岳」成果創出加速プログラム, 文部科学省, Apr, 2023 - Mar, 2026

館山佳尚
Innovative energy storage materials based on the peculiar functions realized by isolated molecules/orbitals.

Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (S), Grant-in-Aid for Scientific Research (S), Japan Society for the Promotion of Science, Aug, 2020 - Mar, 2025
水電解電極として世界最高活性を示す非金属触媒の技術革新

研究成果最適展開支援プログラム（育成型）, 科学技術振興機構, Oct, 2022 - Mar, 2025

近藤剛弘
Dense charge storage using anomalous dielectric electric double layer

Grants-in-Aid for Scientific Research, Grant-in-Aid for Scientific Research (A), Japan Society for the Promotion of Science, Apr, 2018 - Mar, 2022

Okubo Masashi
Development of advanced energy storage system based on overall strategies on new materials and new interface

Grants-in-Aid for Scientific Research, Grant-in-Aid for Specially Promoted Research, Japan Society for the Promotion of Science, 2015 - 2019

YAMADA Atsuo, OKUBO masashi, YAMADA yuki, NISHIMURA shin-ichi, TATEYAMA yoshitaka, HARADA yoshihisa, ASAKURA daisuke, NAKAI Hiromi, OTANI minoru, YABUUCHI naoaki
Studies on Structure Sampling and Non-Equilibrium Dynamics Using Ab-Initio Molecular Dynamics Methods

Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Japan Society for the Promotion of Science, Apr, 2010 - Mar, 2015

TSUNEYUKI Shinji, OTANI Minoru, YOSHIMOTO Yoshihide, YAMAUCHI Jun, NAKAYAMA Takashi, SUGINO Osamu, MORIKAWA Yoshitada, AKAGI Kazuto, TATEYAMA Yoshitaka, SUWA Yuji, GOHDA Yoshihiro
Design and study of nanotube hybrid structure

Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Priority Areas, Grant-in-Aid for Scientific Research on Priority Areas, Japan Society for the Promotion of Science, 2007 - 2011

OKADA Susumu, OSHIYAMA Atsushi, OTANI Minoru, YAMAMOTO Takahiro
First principles simulation of electrochemical reaction at metal/water interface

Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B), Grant-in-Aid for Scientific Research (B), Japan Society for the Promotion of Science, 2007 - 2009

OTANI Minoru, SUGINO Osamu, MORIKAWA Yoshitada, TATEYAMA Yosihisa, HAMADA Ikutaro
カーボンナノチューブを基にしたナノ構造体の物性解明

科学研究費助成事業若手研究(B), 若手研究(B), 日本学術振興会, 2004 - 2006

大谷実
Quantum Theoretical Approach in Exploration of New Functions in Surface Nano-Structures

Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (C), Grant-in-Aid for Scientific Research (C), Japan Society for the Promotion of Science, 2002 - 2003

OSHIYAMA Atsushi, OTANI Minoru
単純二原子分子性固体の圧力誘起相転移の機構解明及び磁性の研究

科学研究費助成事業特別研究員奨励費, 特別研究員奨励費, 日本学術振興会, 1999 - 2000

大谷実
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Misc.

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