Welcome to Web site of 3D Active-Site Science

This site provides the information on activity and main results of the 3D Active-Site Science Project.  For further information please follow the links listed in the left menu column.


2017/10/2-3  The 6th Report Meeting of recent results will be held at Lund, Sweden

Date: 2017/10/2  9:00- 10/3 12:00
Venue: ”Lundmarksalen” (lecture hall in the Astronomy building) , Lund , Sweden

SIte visit to MAX IV is planned after the meeting.

2017/4/26  New Letter No.7 (Japanese version) has been published.

2017/6/10-11  Spring School for students will be held in Tokyo.

Date :2017/6/10- 6/11
Place : Tokyo Metropolitan Univ.  Akihabara Campus
Registration Fee : Free (Banquet is to be charged)
Deadline: 5/22

Recent Activity

2017/05/01-02 Kick-Off Meeting of Open tupe Research was held in SPring-8.

16 members of Open type Researches discussed with the members of this projects about the research plans.

Date:2017/5/1 13:30-5/2 12:00 Venue:SPring-8 (hyogo)   (http://www.spring8.or.jp/ja/about_us/access/)

2017/4/21 A member had a lecture to 26 high school students about holography method.

    Date: 2017/4/21
Place: Ibaraki Univ. Hitachi Campus
High School:  Iwaki high school (Fukushima Prefecture)

2017/4/19 A paper of a member of this project was published on Nano Letters


Controlled Modification of Superconductivity in Epitaxial Atomic Layer−Organic Molecule Heterostructures
Shunsuke Yoshizawa, Emi Minamitani, Saranyan Vijayaraghavan, Puneet Mishra,
   Yasumasa Takagi, Toshihiko Yokoyama, Hiroaki Oba, Jun Nitta, Kazuyuki Sakamoto,
   Satoshi Watanabe, Tomonobu Nakayama, and Takashi Uchihashi
Journal :
Nano Lett., 2017, 17 (4), pp 2287–2293

2017/4/8 16 Proposals have been accepted as Open-type Researches in 2017-19

    URL of the List : http://www.en.3d-activesite.jp/06-open-type-research-2017

2017/3/19 A paper of a member of this project won a paper award of Physical Society of Japan 2017


TItle: Charge Ordering in α-(BEDT-TTF)2I3 by Synchrotron X-ray Diffraction
Authors:Toru Kakiuchi, Yusuke Wakabayashi, Hiroshi Sawa, Toshihiro Takahashi, and Toshikazu Nakamura 
Journal:J. Phys. Soc. Jpn. 76, 113702 (2007) 

2017/3/18 Two Members of this project gave invited talks in 72th Annual Meeting of

Physical Society of Japan

    Prof. Matsui and Prof Hayashi gave talks in 72th annual meeting of Physical Society of Japan at Osaka as invited speakers.
Date :2017/3/18
Venue:Osaka Univ.

2017/3/15   A paper of our members was published on Chemistry A European Journal

Journal: Chemistry A European Journal
Title:  “Green, Multi-Gram One-Step Synthesis of Core–Shell Nanocomposites in Water and Their Catalytic Application to Chemoselective Hydrogenations”
Authors: T. Urayama, T. Mitsudome, Z. Maeno, T. Mizugaki, K. Jitsukawa, and K. Kaneda
URL : 

2017/3/14 A student of this project won a poster award of Quantum Beam Science Festa at Tsukuba

Mr. Anada of Osaka Univ. have won a poster award of Quantum Beam Science Festa 2016 held at Tsukuba. 

Meeting :Quantum Beam Science Festa 2016
Venue :Epochal Tsukuba

2017/3/4-5 5th Report Meeting of Recent Results was held at Atami


Date: 2017/3/4 - 3/5

VenueIzuyama Kenshu Centerhttp://www.uniho.co.jp/hoyojyo/atami.html



2017/1/30 A paper of our members about a collaboration work in this project was published on Organometallics.
Journal: Organometallics
Title : Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization
Authors: K. Nomura, T. Mitsudome, A. Igarashi, G. Nagai, K. Tsutsumi, T. Ina, T. Omiya, H. Takaya, and S. Yamazoe
URL : http://pubs.acs.org/doi/abs/10.1021/acs.organomet.6b00727

2016/11/24 A review paper by members of this project was published on Chemistry A European Journal, and selected as Highlight Paper and Frontispiece.

Journal: Chemistry A European Journal
  Title:  “Green, Multi-Gram One-Step Synthesis of Core–Shell Nanocomposites in Water and Their Catalytic Application to Chemoselective Hydrogenations”
  Authors: T. Urayama, T. Mitsudome, Z. Maeno, T. Mizugaki, K. Jitsukawa, and K. Kaneda
URL:  http://onlinelibrary.wiley.com/doi/10.1002/chem.201604763/abstract

2016/11/14 A student of this project won a poster award in an international conference in Taiwan

 Name: Chaimongkolkunasin Sapanna
Conference:International Symposium on Catalysis and Fine Chemicals 2016 (C&FC2016)
Venue:Howard Civil Service International House, Taipei, Taiwan
Title: Synthesis and Reaction Chemistry of (Imido)Vanadium(V)-Alkylidene Complexes: Highly-Active Olefin Metathesis Catalysts
URL: http://www.cfc2016.org/index.php

2016/8/29 Our member's paper was published on J. Am. Chem. Soc.

“Ring-Opening Metathesis Polymerization of Cyclic Olefins by (Arylimido)vanadium(V)-Alkylidenes: Highly Active, Thermally Robust Cis Specific Polymerization”
X. Hou and K. Nomura
Successful demonstration of highly active, thermally robust cis specific olefin metathesis vanadium complex catalysts

2016/8/16 Our member,  Ken Motokura, won the Challenging Research Award 2016, Tokyo Institute of Technology

Research Project : Multi-Active Site Surface for Novel Molecular Transformation

2016/08/01 Our member, Takato Mitsudome, was promoted from Assistant Professor to Associte Professor of Department of Materials Engineering  Science, Graduate School of Engineering Science, Osaka University.

2016/7/26 Our member's paper was published on Journal of Computational Chemistry and its figure was selected as Front Cover.

Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile
Yusuke Kanematsu, Masanori Tachikawa, and Yu Takano
Journal of Computational Chemistry 37, 2140-2145 (2016).

The short hydrogen bond between tyrosine Yz and D1-His190 of photosystem II (PSII) is involved in the oxidation of water at the Mn cluster. We investigated the short hydrogen bond, using multicomponent quantum mechanics, where the quantum fluctuation of a hydrogen nucleus was incorporated into electronic structure calculation. Our computation demonstrated that the deuteration for hydrogen in the short hydrogen bond of PSII led to the reduction of the O…N distance. It indicated an inverse Ubbelohde effect typically recognized in strong and symmetric hydrogen-bonding clusters such as FHF– and H­­­­­­32–.

2016/7/16 Our member's paper was published on PHYSICAL REVIEW LETTERS

Nonvortical Rashba Spin Structure on a Surface with C1h Symmetry 

Emilia Annese,Takuya Kuzumaki,Beate Müller,Yuta Yamamoto,Hiroto Nakano,Haruki Kato,Atsushi Araki,Minoru Ohtaka,Takashi Aoki,Hirotaka Ishikawa,Takashi Hayashida,Jacek R. Osiecki,Koji Miyamoto,Yasuo Takeichi,Ayumi Harasawa,Koichiro Yaji,Tetsuroh Shirasawa,Koh-ichi Nittoh,Wooil Yang,Kazushi Miki,Tatsuki Oda,Han Woong Yeom, and Kazuyuki Sakamoto

The Rashba-Bychkov (RB) effect generates spin-polarized electronic states even in non-magnetic materials, and shows a great potential towards practical application of spintronics. This paper reports the observation of a peculiar RB band, which was not expected so far, originating from the C1h symmetry of the surface.

Our member's paper was published on Japanese Journal of Applied Physics

Interfacial atomic site characterization by photoelectron diffraction for 4H-AlN/4H-SiC(11-20) heterojunction

Naoyuki Maejima, Masahiro Horita, Hirosuke Matsui, Tomohiro Matsushita, Hiroshi Daimon and Fumihiko Matsui

The interfacial atomic structures of AlN thin films on a nonpolar 4H-SiC(11-20) substrate were studied by photoelectron diffraction and spectroscopy. The density of intermixing atomic sites at the interface were reduced by improving the growth conditions by referring to intermixing component information. We revealed the atomic and electronic structures of the 4H-AlN/4H-SiC(11-20) interface on which the channels of trench-structure metal-oxide-semiconductor field-effect transistors are formed.

2016/7/1 Our members' paper was published on Review of Scientific Instrumentations(6/15) and
this article is selected as editor's picks! 

Development of an X-ray fluorescence holographic measurement system for protein crystals
Ayana Sato-Tomita, Naoya Shibayama, Naohisa Happo, Koji Kimura, Takahiro Okabe, Tomohiro Matsuishita, Sam-Yong Park, Yuji Sasaki, and Kouichi Hayashi
Review of Scientific Instrumentations
Rev. Sci. Instrum. 87, 063707 (2016); http://dx.doi.org/10.1063/1.4953453

RSI editor's picks. This article has been made free to download for a limited time.

2016/7/1 VUVX 2016 satellite workshop "Local 3D atomic and electronic structure imaging"

Date: 1. July, 2016 
 University of Zurich, Irchel campus, Switzerland.
The detailed information is available on the web site below.

The invited speakers
Prof. H. Daimon Introduction to 3D Active Science
Prof. C.S. Fadley Keynote Lecture: XPD and X-ray Standing Wave
Dr. M. Muntwiler XPD Dedicated Beamline at SLS
Prof. D.P. Woodruff  Keynote Lecture: XPD and X-ray Standing Wave
Prof. F. Matsui XPD & PEH at SPring-8
Lunch & Poster
Prof. G. Faigel Lecture: XFH
Prof. K. Hayashi XFH
Prof. L. Yashina Topological Insulators by XPD
Prof. M. Chergui Time-resolved EXAFS
Prof. Y.C. Sasaki Bio-molecule XFH
Dr. R. Weterstrom Single Molecular Magnet
Prof. A. Schoell Orbital Tomography
Dr. A. Shavorskiy Ambient Pressure PES 

Date: 3.-8 July 2016,
Venue: ETH Zurich, Switzerland.
Please visit the website for more information.

2016/6/15 Our members' paper was published on Phys. Rev. B

Chemical and orbital fluctuations in Ba3CuSb2O9
Yusuke Wakabayashi, Daisuke Nakajima, Yuki Ishiguro, Kenta Kimura, Tsuyoshi Kimura, Satoshi Tsutsui, Alfred Q. R. Baron, Kouichi Hayashi, Naohisa Happo, Shinya Hosokawa, Kenji Ohwada, and Satoru Nakatsuji, Phys. Rev. B 93, 245117(2016).

2016/6/6 Our members' paper was issued from Organometallics and selected as Most Read Article(The fourth rank ) in May.

Synthesis of (Imido)Vanadium(V) Dichloride Complexes Containing Anionic N-Heterocyclic Carbenes That Contain a Weakly Coordinating Borate Moiety: New MAO-Free Ethylene Polymerization Catalysts
Atsushi Igarashi, Eugene L. Kolychev, Matthias Tamm, and Kotohiro Nomura
Organometallics (2016)

2016/05/28 "Spring School" sponsored by 3D Active-Site was held at Tohoku University.

Date : May 28 - 29, 2016
Place : Aoba Science Hall at Aobayama Campus of Tohoku University

"2nd Spring School" was held at Aobayama Campus of Tohoku University.  There were 36 attendees including the lecturers.

The program was as follows,

*1st day : Lectures by Prof. Yamazaki (Hokkaido Univ.), Prof. Wakabayashi(Osaka Univ.), Prof. Matsui(NAIST), Poster Presentation, Tutorials in 3 groups

* 2nd day : Oral Presentations, Presentations about the tutorials on May 28

2016/5/21 Our supported event "Seminar in Catalysis and Fine Chemicals, Catalysis Society

 of Japan" was held.

Date&Time : 2016/5/21(Sat)1030-1730
Place : Seminar Room at Internationsl Building, Graduate School of Engineering Science of Osaka University (Toyonaka Campus)

Please visit the website below for more information.

2016/4 Proceedings of "Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques" are published on ZEITSCHRIFT FÜR PHYSIKALISCHE CHEME.  

2016/3/28 Our member's paper was issued from Journal of Applied Physics.

Large As sublattice distortion in sphalerite ZnSnAs2 thin films revealed by x-ray fluorescence holography
Kouichi Hayashi, Naotaka Uchitomi, Keitaro Yamagami, Akiko Suzuki, Hayato Yoshizawa, Joel T. Asubar, Naohisa Happo and Shinya Hosokawa
J. Appl. Phys. 119, 125703 (2016)

2016/3/21 Our member's paper was issued from Applied Physics Letters.

A divalent rare earth oxide semiconductor: Yttrium monoxide
Kenichi Kaminaga, Ryosuke Sei, Kouichi Hayashi, Naohisa Happo, Hiroo Tajiri, Daichi Oka, Tomoteru Fukumura, Tetsuya Hasegawa
Appl. Phys. Lett. 108, 122102 (2016)

2016/3/14-15 Our supported event "11th SR Surface Science Research Division & Microscopic/Nano Material Science Group Joint Symposium was held.

Date : 2016/3/14(Mon)-15(Tue)
Place : SPring-8 (http://www.spring8.or.jp/en/about_us/access/

As for the details, please see the web page below.

Sponsored by SR Surface Science Research Division & Micorscopie/Nano Material Science Group
Supported by Infrared Spectroscopy by Synchrotron Radiation, "3D Active-Site Science"

2016/03/7-9  3rd Report Meeting of Recent Results was held at Nagoya .

Date : 2016/03/7(Mon)-2016/03/9(Wed)
Venue : Nagoya Institute for Technology (http://www.nitech.ac.jp/access/)
Please click here for the details of the meeting.

2016/3/1-3/2 Our supported event "Seminar at Insutitute for Protein Research" was held. 

Date : 2016/3/1 9:30 - 2016/3/2 16:30
Place : Research Center for Advanced Science and Technology HP : http://www.protein.rcast.u-tokyo.ac.jp/tanpakuken2016/
Please click here to see the poster.

2016/02/15 Our news letter was issued.


 * Event reports
 * Achievements 
 * Schedule of events

2016/2/9 A paper of the collaborative research between our planned research groups was published from Chem. Eur. J.

A result of collaborative research between Nano Catalysts Group (Prof. Motokura) and Surface/Interface Holography (Prof. Wakabayashi and Dr. Tajiri) was issued from Chem. Eur. J. 

Authors : H. Noda, K. Motokura, Y. Wakabayashi, K. Sasaki, H. Tajiri, A. Miyaji, S. Yamaguchi, T. Baba
Title : Direct Estimation of the Surface Location of Immobilized Functional Groups for Concerted Catalysis Using a Probe Molecule
Journal : Chem. Eur. J., Accepted manuscript
DOI: 10.1002/chem.201600263

2016/1/23 Site Visit in Tokyo Metropolitan University and Tokyo Institute of Technology and Coordination Committee Meeting

Site Visit of laboratories of Tokyo Metropolitan University and Tokyo Institute of Technology was held.  After presentations of recent results of groups of the two university, we visit laboratories of Prof. Nomura, Prof. Tsutsui, Pro. Wakabayashi and Prof. Motokura.  We also had a Coordination Committee Meeting to discuss the project plans including the 3rd anual report meeting, organization of the next international conference and so on.


2016/1/19 Our head investigator, Hiroshi Daimon, gave a special lecture at 1st Lecture Meeting FY2015 of Kansai Br. of The Vacuum Society of Japan

Date & Place : 2016/1/19日(Tue) 16:00-17:30
Place : Kansai Office of Shimadzu
Speaker : Hiroshi Daimon (Nara Institute of Science and Technology)

2016/1/15 Our co-investigator Dr. Ken Motokura received the prize "The Chemical Society of Japan Award For Young Chemists for 2015".

Prize Winner : Ken Motokura,  Lecturer of Tokyo Institute of Technology
Prize Title : Development of Multi-Active Site Catalysts for Surface Concerted Catalysis Aimed at One-Pot Synthesis

The prize ceremony will be held at the CSJ 96th Annual Meeting at Doshisha University on March 26, 2016. 

2016/1/13-17 Our supported event "The Symposium on Surface and Nano Science 2016 (SSNS’16) " was held.

Date : 2016/1/13/(Wed)-17(Sun)
 Place : New Furano Prince Hotel

Sponsored by Thin Film and Surface Physic Division of Applied Physics ociety of Japan
Supported by The Surface Science Society of Japan, The Physical Society of Japan, "3D Active-Site Science"

2016/1/9-11 The members gave specially-planned lectures at the 29th Annual Meeting of the Japanese Society for Synchrotron Radiation Research (JSSRR2016)

Date 2016/01/09(Sat)-11(Mon)
Venue The University of Tokyo Kashiwa Campus Station Satellite/Kashiwa-No-Ha Conference Center/OakVillage Kashiwanoha


Specially-Planned Lecture 1

Date 2016/01/10 (Sun) 9:00-12:00

Venue Kashiwa-No-Ha Conference Center


Titiel : Frontiers in Visualization of 3D Active-Site


Hiroo Tajiri (Japan Synchrotron Radiation Research Institute)

Kouichi Hayashi(Nagoya Institute of Technology

Yusuke Wakabayashi  (Osaka University)

Kazuto Akagi  (Tohoku University)

Yuji SasakiUniversity of Tokyo

Fumihiko Matsui  (Nara Institute of Science and Technology

Tomohiro Matsushita (Japan Synchrotron Radiation Research Institute)

Kazuo Tsutsui  (Tokyo Institute of Technology)

Hiroshi Daimon Nara Institute of Science and Technology

The specially-planned lectures had more than 80 audiances and ended successfully.

2015/12/22 A paper of the collaborative research between our planned research groups was published from ACS Catalysis.

Journal:ACS Catal., Just Accepted Manuscript 
Tittle:Design of Core-Pd/Shell-Ag Nanocomposite Catalyst for Selective Semihydrogenation of Alkynes
Authors :T. Mitsudome, T. Urayama, K. Yamazaki, Y. Maehara, J. Yamasaki, K. Gohara, Z. Maeno, T. Mizugaki, K. Jitsukawa, K. Kaneda  
DOI: 10.1021/acscatal.5b02518

2015/12/14 Our member's paper was published and its press release was issued.

Journal :Scientific Reports (Electric Journal of Nature Publishing Group)
Tittle:Time-resolved X-ray Tracking of Expansion and Compression Dynamics in Supersaturating Ion-Networks
Authors :Y. Matsushita, H. Sekiguchi, K. Ichiyanagi, N. Ohta K. Ikezaki, Y. Goto, Y. C. Sasaki
DOI No.:10.1038/srep17647

2015/12/5 Site Visit and Coordination Committee Meeting in Okayama University

Site Visit of Okayama University was held on 5th-December.  After presentations of recent results of Okayama Univ. Group, we visit laboratories of Prof. Kubozono, Prof. Yokoya, and Prof. Kudoh.  We also had a Coordination Committee Meeting in Okayama
Univ. to discuss the project plans including
organization of the next international conference and

2015/11/28 The lectures at "Spring School" was released at Youtube.

Click here to watch the lectures

2015/11/27-28 Our supported workshop "The present and future of organic photovoltaicswas held. 

Date : 2015/11/27 (Fri)-28(Sat)
Place : Graduate School of Materials Science, Nara Institute of Science and Technology
Click here for the detailed information.
Organized by Nara Institute of Science and Technology
Supported by "3D-active Site Science"

2015/11/23-24 Our supported event entitled "A variety of microscopic surface imaging" has been held.

Date : 2015/11/23(Mon) - 2015/11/24(Tue)
Venue :  Shingu-sou (http://www.shinguso.com/shisetu.html
Event : The 3rd Meeting of Young Researchers' Society for a Variety of Microscopic Imaging Techniques, The Japanese Society of Microscopy "A variety of microscopic surface imaging"

For the details of the event, please click here.

Our member gave an invited speech.
   ●Speaker : Prof. Yusuke Wakabayashi (Osaka University)

2015/11/23-27  "Asian Polyolefin Workshop 2015" (APO2015) was held as a co-organized event

Date : 2015/11/23(Mon)-2015/11/27(Fri)
Venue :  Tokyo Metropolitan University 
Topics : 
      ●Olefin polymerization catalysts
      ●Synthesis of new, fine polyolefins
      ●Structure and property analysis of polyolefins
      ●Engineering aspects of olefin polymerization
Please click here for the details of the lecture on Nov. 23 by Prof. Dr. Walter Kaminsky who has contributed to discover and industrialize metallocene catalyst.
Organized by Catalysis Society of Japan
Co-corganized by 3D Active-Site Science

2015/11/14-15 A supported program was attended to the event "Science Agora".

The biggest science event “Science Agora” (http://www.jst.go.jp/csc/scienceagora/) sponsored by Japan Science and Technology Agency was held in the Odaiba area of Tokyo and we supported the program sponsored by Protein Data Bank Japan(PDBj).


Booth No Aa-063

“Let’s touch the parts of creatures” (at 1st floor of Hall A)


2015/11/13-15 9th Joint Symposium of the MEXT Projects on Condensed Matter Science was held. 

Date :2015/11/13(Fri)-15(Sun)
Place:University of Tokyo
           ・Lecture Hall on 5th Floor of Science Chemistry Bldg. on Nov.13

The members gave lectures.
Date & time :15:20-16:50 on 2015/11/13(Fri)
● Hiroshi Daimon (Nara Institute of Science and Technology)
● Kouichi Hayashi(Nagoya Institute of Technology)
● Yuji Sasaki (University of Tokyo)

2015/11/12  A member of this project delivered a lecture on holography in Graduate School of Ibaraki University.

Prof. Ohoyama (Ibaraki Univ) gave a lecture on neutron holography in graduated school of science and engineering, Ibaraki Univ (Hitachi, Japan).  Importance of understanding of local structures, principle of holography and resent results of holography were explained to students of the master course.

2015/11/07 A member gave a lecture on neutron holography in an extramural lecture meeting to th e public.

PSJ Extramural Lecture on Crystal and diffraction: 100th Anniversary
of Bragg reflection
Date:2015/11/7 (Sat)
Venue:Koshiba Hall, The University Tokyo
Organiser:Physical Scoiety of Japan


This event was an commemorating lecture meeting of 100th anniversary of the discovery of Bragg reflection.  Over 140 people including 14 high school students were present.  Four lectures about investigations using X-ray, electrons, positrons and neutrons are presented for high school students and people who are interesting in science.  Prof. Ohoyama (Ibaraki Univ.), a member of this project, gave a lecture on holography and local structures investigations.  

2015/11/2-3 Three members gave invited talks in international symposium ISAMMDoF2015 in Kumamoto Univ.

International Symposium on Advanced Materials Having Multi-Degrees-of-Freedom
Venue: Kumamoto Univ. (Kumamoto)


Prof. Koichi Hayash (Nagoya Institute of Technology)
Prof. Kenji Ohoyama (Ibaraki Univ.)
Prof. Fumihiko Matsui (Nara Institute of Science and Technology)

2015/11/06 The following paper was published fromJournal of the American
Chemical Society.

"One-step Synthesis of Core-Gold/Shell-Ceria Nanomaterial and Its Catalysis for Highly Selective Semihydrogenation of Alkynes"
Takato Mitsudome, Masaaki Yamamoto, Zen Maeno,Tomoo Mizugaki, Koichiro
Jitsukawa, and Kiyotomi Kaneda
J. Am. Chem. Soc. (Communication)

2015/10/28 Special session was held at ALC'15

Atomic Level Characterization (ALC)'15    
 Date :2015/10/25(Sun)-30(Fri)
 Venue: Kunibiki Messe (1-2-1 Gakuen minami, Matsue-City, Shimane, Japan) 
 Suponsored by : The 141th Committee on Microbeam Analysis of Japan Society for the Promotion of Science

Special Session on 3D Active-Site Science (2015/10/28)
Session Title "3D holographic imaging and characterizations of active atomic sites"
Date/Time : 2015/10/28 (Wed) 9:00-12:30
Invited Speakers 
  ● Prof. Hiroshi DAIMON (Nara Institute of Science and Technology) 
  ● Prof. Chuck FADLEY (University of California, Davis) 
  ● Prof. Pawel KORECKI (Jagiellonian University)
  ● Prof. Peter KRÜGER (Chiba University)
  ● Dr. Lada YASHINA (Moscow university)

2015/10/11-15 The members gave invited lectures on JCS-2015 held in Slovakia

The 6th JCS International Symposium on Theoretical Chemistry (JCS-2015)
the Congress Center of the Slovak Academy of Science, Slovakia 

●Speaker 1) Yasuteru Shigeta, University of Tsukuba (Oct.12, 2015)  
  Title : Simple Conformational Search Algorithms For Protein Folding

●Speaker 2) Yu Takano, Hiroshima City University (Oct.14, 2015)
  Title : Theoretical Analysis of the Electronic Asymmetry of the Special Pair
            Cation Radical in the Photosynthetic Reaction Center

http://jcs-2015.sav.sk http://jcs-2015.sav.sk/node/4 (Program

2015/9/18 The member has given an invited lecture at the symposium of JPS 2015 Autumn Meeting

JPS 2015 Autumn Meeting
   Venue : Senriyama campus, KANSAI University
【Joiong Symposium of Field 5 and Field 9】
   Date/Time of Symposium : 2015/9/18(Fri)13:30-17:00
   Symposium Title : The stream and prospects of condensed matter physics in 
                              subsurface region using novel spectroscopy 
   Lecture Title : Atomic-Orbital-Excited Diffraction as Local Electronic Property
                        Analysis Method
   Speaker : Prof. Fumihiko Matsui (Nara Institute of Science and Technology)

2015/09/16 Head Investigator, Prof. Hiroshi Daimon has given a special lecture at the 116th Meeting of Calysis Society of Japan

Date : 2015/9/16(Wed)
Venue : Mie University
Title : Challenge to visualize the atomic rearrangement in chemical reaction by “3D active-site science”
Speaker : Prof. Hiroshi Daimon (NAIST)

2015/09/23 The member has given an invited lecture at "Advances in Polylefins 2015".

Advances in Polyolefins 2015
Place:Santa Rosa, California, USA
Title :Synthesis of Cyclic Olefin (Co)Polymers by Olefin Insertion/Metathesis Polymerization
Speaker : K. Nomura, Tokyo Metropolitan University

2019/09/19 Theory group meeting has been held.

Date : 2015/09/19 (Sat)14:00 - 18:00 
Place:Osaka University Nakanoshima Center
There were 16 members attending this meeting.  They had active discussions and exchanged information for the purpose of promoting their collaborative researches.

2019/09/19 Theory group meeting has been held at Osaka University Nakanoshima Center.

2015/09/13 The cosponsored symposium has been held at the 53rd Annual Meeting of Biophysical Society of Japan and the members of 3D Active-Site Science have given their speech

Date : 2015/9/13(Sun)
Venue : Kakuma Campus of Kanazawa University
Symposium Title : Novel 3D imaging of active sites in biomolecular systems to understand the biochemical functions
1) Direct 3D atomic structure analysis project for active-site of bio-molecules by atomic-resolution holography(Hiroshi Daimon /NAIST)
2) Single Molecule Observations by Quantum Beams and Analysis of Functional Active-sites(Yuji Sasaki /The University of Tokyo)
3)Toward understanding ligand-gated ion channels -Potential of diffracted X-ray tracking and atomic resolution holography- (Yuri Nishino/Univ. Hyogo)
4) A QM/MM study of catalytic mechanism of nitrile hydratase (Megumi Kayanuma/Univ. Tsukuba)
5) Challenge of X-ray fluorescence hologaphy toward biomaterials (Koichi Hayashi/Nagoya Inst.of Tech.)
6) Structural dynamics measurements of the intermediate states in the ligand-photolysis of hemoglobin (Ayana Sato/ch. Med., Univ. Jichi)
7) Theoretical study of the relationship between heme distortion and redox potential(Yu Takano/Hiroshima City Univ.)

2015/09/07    "International Workshop for Green Photonics" has been held as a cosponsorship event

Date: 2015/9/7(Mon) 13:30〜17:45
Nara Institute of Science and Technology,  Graduate School of Materials Science, Lecture Room

Download  (PDF)

Nara Institute of Science and Technology,  Graduate School of Materials Science

3D Active-Site Science Project

2015/09/4-6  2nd Report Meeting of Recent Results has been held in Tsukuba

Venue: KEK, Tsukuba Campushttps://www.kek.jp/ja/Access/Tsukuba/
 Mt Tsukuba KEISEI Hotelhttp://tsukuba.pw/hotel/index.html
9/4 (KEK) : Greeting from Prof. DAIMONProf. MURAKAMI (KEK-PF), activity reports by Planned Research Group ,
site visit of PF
9/4 (Hotel): Poster session, Meeting dinner
9/5 (Hotel): Activity Reports by young researchers and open type research group , poster session
9/6 (Hotel): Activity Reports by open type research group
This meeting has been held for three days.  There are 105 participants in total including members of 3D active-site science, the advisers, Prof. Tsukada, Prof. Kawai, the study researchers, Prof. Katagiri, and Prof. Kojima and lots of graduate students of the related labs.
The following people got the poster prize named "Daimon Prize" among the 63 posters.
1st Prize : Fumina Sato (Jichi Medical University / Biological Materials Group)
2ne Prize : Lu Zheng (Okayama University / Organic Device Group) 
                Mitsuo Shoji (University of Tsukuba / Biomolecular Simulation Group)
As the participants has stayed together for three days, they could concentrate to get the information of the studies-in-progress, exchange to each study and discuss the future study plans.  Also it must be a good opportunity for the young researcher to get a strong motivation to move forward their study.

2015/08/31 - 09/04 27th Computational Materials Design (CMD®) Workshop has been held 

Date 2015/08/31~09/4
Venue:Osaka University (Osaka, Japan)
Access Map
Deadline of Registration: 2015/07/26

Institute for NanoScience Design (INSD),Osaka University
Graduate School of Engineering Science, Osaka University
Institute of Scientific and Industrial Research, Osaka University
Graduate School of Engineering, Osaka University
Graduate School of Science, Osaka University
Tokyo University of Science
Computational Materials Science Initiative(CMSI)
Japan Society for the Promotion of Science (JSPS) Core-to-Core Program A.Advanced Research Networks
Osaka University Quantum Engineering Design Research Initiative (OU-QEDRI)
Osaka University Future Research Initiative Group Support Project
Grant-in-Aid for Scientific Research on Innovative Areas "3D ACTIVE-SITE SCIENCE"

2015/08/08   Coordination Committee Meeting was held in Kyoto

2015/07/21 Data Analysis Tutrial was held at SPring-8.

Date : 2015/07/21  14:30- (~2hr)
Venue: SPring-8 Office of 3D Active-Site Science
Lecturer: Dr. T. Matsushita (SPring-8)
Contents : In this tutrial course, lectures of Analysis of fluorescent X-ray holography and Photoelectron Holography were given.  18 researchers held and had active discussions about analysis techniques.

This tutorial course will be held frequently on request.

2015/07/13    News Letter  No.3 was published.


* Introduction of Open Type Research
* Events
・ 20150221 Seminar of Computational Science
・ 20150223-27 CMD Workshop
・ 20150302 Opening Ceremony of SPring-8 Office
・ 20150314-15 1st meeting for progress reports
・ 20150426-30 Int'l. Workshop at Bonn
・ 20150530-31 Spring School 2015
* Highlights
* Schedule

2015/07/16   Coordination Committee Meeting was held at SPring-8

2015/07/4 Site Visit and Coordination Committee Meeting in Osaka Univ.

Reports of recent activities by Prof. Mitsudome, Prof. Wakabayashi, Prof. Yamazaki, Prof. Morikawa

Site visit of experimental facilities, in particular 3 MV Ultra-High Voltage Electron Microscopy (UHVEM).

Coordination Committee Meeting was also held at Osaka Univ.

2015/06/17 Prof. Hayashi attended at an International conference as an invited speaker

The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
Venue:TOKI MESSE Niigata Convention Center
Title : X-ray Fluorescence Holography for Visualization of 3D Local Structures
Speaker : Koichi Hayashi, Tohoku University

2015/5/30-31   Spring School 2015 of 3D active-site sciwas held in Nara


Venue:Nara Kasugano International Forum

Attendant:Mainly students of Master and Doctor courses, and some faculty members

Spring School 2015 "Introduction and Application of scattering and spectroscopy techniques for investigation of 3D active-site science" was held in Nara, which included 11 lectures and a poster session (28 posters). 76 young persons discussed with other attendants and lecturer

2015/05/11&12   Coordination Committee Meeting was held in SPring-8.

2015/05/11 Kick-off Meeting of Open Type Research was held in SPring-8.

Venue SPring-8 Lecture Hall
13:00- 14:30 Introduction of Key members
14:30- 17:00 Presentations by Open type Researches
17:00- 18:00 Site tour of SPring-8
19:00- 21:00 Banquet

10:00- 12:00 Group Meeting
12:00- 13:00 Coordination Committee Meeting
13:00-       Free Discussion and Closing


2015/04/26-04/30 International WS"Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques" was held in Germany.

"Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques"
Date: 2015/04/26-30
Venue: Bad Honnef, Bonne, Germany
Home page

Scientific Organizers: 
Prof. Dr. Wolf-Christian Pilgrim
Dr. Habil Pawel Korecki
Prof. Kouichi Hayashi

The 1st international activity of this project was successfully held. 26 Japanese scientist were held.

2015/03/14-15 First Report Meeting of Recent Results was held in Kyoto

Date 22015/03/14-15
Venue:International Institute for Advanced Studies (IIAS) (Kyoto, Japan)


The 1st Report Meeting of Recent Results was held at IIAS, which is a core facility in Kansai Science City. Poster sessions of all the members of Project, and reports of key results of each planed research groups was held.

2015/03/02 Opening Ceremony of SPring-8 Office of this project has held.

Opening Ceremony of SPring-8 Office of this project has held in SPring-8 with 25 attendants.  As invited guests, Doi (Director General of JASRI), Noda (Director General of JASRI),  Kagoshima (Professor, University of Hyogo), Takada (Manager of the Research & Utilization Division, JASRI) and Ishikawa (Director of RIKEN SPring-8 Center) extended their congratulations to this project.