MEMBER:
[ NIMS Staffs in the IFCS group ]
Yoshitaka Tateyama, Ph. D
+Group Leader (GL), IFCS Group, GREEN, NIMS
+Principal Investigator (PI), MANA, NIMS
+Sub GL, BM Group, CMI2, MaDIS, NIMS
+Project Professor / PI, ESICB, Kyoto University
+Visiting Professor, Waseda University
+Visiting Professor, Tokyo Institute of Technology
+PI, The Priority Study 5 (energy), FLAGSHIP2020, MEXT
+PI, JST-ALCA-SPRING (Kanamura team)
+Team Leader (TL), JST-ACCEL (Einaga project)
+TL, JSPS-TOKUSUI (Yamada project)
+Advisor, JST-PRESTO "Science and creation of innovative catalysts” (Kitagawa Sakigake)
+ Development of efficient DFT-MD sampling / free energy calculation code
+ DFT sampling (MD, CALYPSO etc.) studies on solid/liquid interface and solid/solid interfaces
+ Theoretical treatment of electrochemical and chemical reactions at interfaces.
+ DFT explorations of atomic-scale mechanisms in Li-ion battery and next-generation batteries.
+ DFT studies on atomistic mechanism in heterogeneous catalysts.
+ DFT investigation of perovskite solar cell
+Senior Researcher, IFCS Group, GREEN, NIMS
+Member, BM Group, CMI2, MaDIS, NIMS
+ Project Assistant Professor, ESICB, Kyoto University
+JST PRESTO Researcher “Materials Informatics"
+DFT and machine learning exploration of battery electrolytes and electrodes
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Abbreviation:
NIMS = National Institute for Materials Science
JST = Japan Science and Technology Agency
JSPS = Japan Society for the Promotion of Science,
MEXT = Ministry of Education, Culture, Sports, Science and Technology
IFCS Group= Interface Computational Science Group
GREEN = Center for Green Research on Energy and Environmental Materials
MANA = International Centre for Materials Nanoarchitecthonics
BM Group = Battery Materials Group
CMI2 = Center for Materials Research by Information Integration
MaDIS = Research and Services Division of Materials Data and Integrated System
MOP= Materials Open Platform
ESICB = Elements Strategy Initiative for Catalysts & Batteries
ALCA-SPRING = Advanced Low Carbon Technology Research and Development Program, Specially Promoted Research for Innovative Next Generation Batteries
ACCEL = Accelerated Innovation Research Initiative Turning Top Science and Ideas into High-Impact Values
“project GREEN” = Global Research Center for Environment and Energy Nanoscience
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[ NIMS Staffs in the BM group ]
+ Group Leader, MaDIS, NIMS
+ Sub Group Leader, BM Group, CMI2, MaDIS, NIMS
+ Project Associate Professor, ESICB, Kyoto University
-DFT-MD studies on battery systems
-Electrolyte research via DFT-based data-science technique.
[ Special Researchers in the IFCS-BM groups ]
+JST PRESTO Researcher “Innovative Catalysts"
+NIMS Special researcher
+ Project researcher, ESICB, Kyoto University
- First-principles surface micro kinetics study
- Understanding & control of catalytic reaction mechanism
- Machine-learning exploration of electrolyte materials
[ Postdocs, Visiting Researchers in the IFCS-BM groups ]
+NIMS Postdoctoral Fellow
- Novel types of battery electrolytes
+NIMS Postdoctoral Fellow
- All-solid state battery interfaces
- CALYPSO method
Yang Sun, Ph. D
+ NIMS Postdoctoral Fellow
- Concentrated electrolyte materials
- DFT-MD sampling
Xichan Gao, Ph. D
+ NIMS Postdoctoral Fellow
+ Visiting Researcher, AIMR, Tohoku Univ.
- Force field construction & simulation for organic battery electrolyte
+ Research Associate, ESICB, Kyoto University.
+ NIMS Visiting Researcher
- Cathode / electrolyte interfaces
[ Research Assistants / Secretaries in the IFCS group ]
Chifumi Nishimoto, Ms.
+Assistant of the IFCS group, GREEN
Hisayo Sato, Ms.
+Assistant of the IFCS group, GREEN
[ Cooperation Members ]
Kazuto Akagi, Ph.D (Associate professor, AIMR, Tohoku University)
Ikutaro Hamada, Ph. D (Associate professor, Osaka University)
Andrey Lyalin, Ph. D (Associate professor, Hokkaido University)
Eriko Watanabe, Ph. D (Mitsubishi)
Former members:
Takao Tsuneda, Ph.D
(NEXT) Project Professor, Kobe University
Mohammad Hussein Naseef Al Assadi, Ph. D
(NEXT) Berlin
Shota Iizuka, Ph. D
(NEXT) Post-doc researcher, AIST
Lucie Szabova, Ph. D
(NEXT) Post-doc researcher
Maofeng Dou, Ph.D
+ electrocatalysis of boron-doped diamond electrode
(NEXT) Max-Planck Institute, Stuttgart
Yu Komatsu, Ph. D
+machine learning techniques
Christopher James Kirkham, Ph.D
+metal surfaces
Ikutaro Hamada, Ph. D
+DFT, GW, van der Waals
+Metal surfaces, solid / liquid interface
(NEXT) Associate Professor, Osaka University
Jun Haruyama, Ph. D
- Interface of All-Solid State Lithium Ion Battery
- Perovskite Solar Cell
(NEXT) Postdoctoral researcher, AIST
Mohammad Hussein Naseef Al Assadi, Ph. D
(NEXT) Assistant Professor, University of Tsukuba
Keitaro Sodeyama, Ph.D
+DFT-MD studies on battery issues
+Electrolyte research via DFT-based data-science technique.
(NEXT) Senior Researcher, CMI2, NIMS
Saurabh Srivastava, Ph.D
+ molecular conductance
Hiori Kino, Ph.D
+First principles calculation within/beyond DFT. GW and QMC
+OpenMX, ecalj (Code developing)
(NEXT) Senior Researcher, Data Science G., CMI2, NIMS
Koharu Aikawa
+DFT-based MD simulation of solid/liquid interfaces
(NEXT) A company
Yusuke Ootani, Ph. D
+Dye-sensitized solar cell interface
+Reactions at diamond electrode interfaces
(NEXT) Project assistant professor, Institute for Materials Research (IMR), Tohoku Univ.
Keitaro Sodeyama, Ph. D
+Electrode-electrolyte interfaces in batteries
(NEXT) JST-PRESTO researcher
Zdenek Futera, Ph. D
+Electrocatalysis on diamond electrode
(NEXT) University College Dublin, Dublin, Ireland
Martin Callsen, Ph.D
+Molecules on surface & Lithium-air battery
(NEXT) Singapore
Ryota Jono, Ph.D
+Dye-Sensitized Solar Cell
(NEXT) JST-CREST, The University of Tokyo
Masato Sumita, Ph.D
+Dye-Sensitized Solar Cell
Johan Scheers, Ph.D
(ORIGINAL) Postdoctoral fellow in Chalmers University of Technology, Sweden
+Electrolyte in Lithium Ion Battery
Marco Fronzi, Ph.D
(NEXT) Postdoctoral fellow in Prof. Ogata/Prof. Kimizuka group, Graduate School of Engineering Science, Osaka Univ.
+ Defects, surface & interfaces of solid-oxide fuel cell materials
Tomoki Kobori, Ph.D
(NEXT) Postdoctoral fellow, Quantitative Biology Centre, RIKEN.
+ FMO linear combination MO (LCMO) method for biological systems
Chunping Hu, Ph. D
(NEXT) Assistant Professor, Prof. Watanabe group, Department of Physics, Tokyo University of Science
Excited energy calculation based on TDDFT linear response.
Development of TDDFT-based method for Non-Adiabatic Coupling