特定非営利活動法人 量子化学研究協会研究所 Quantum Chemistry Research Institute

      QCRI is a research institute of quantum chemistry and through which we want to make an important contribution to science and technology and thereby to the happiness of humanity.

 
News

The director, Hiroshi Nakatsuji was awarded the 2016 Schrödinger medal of WATOC “For the discovery and development of general methods of solving the Schrödinger equation of atoms and molecules”.


The WATOC (World Association of Theoretical and Computational Chemists) Schrödinger medal is awarded each year to one outstanding theoretical and computational chemist
http://watoc.net/watoc.schroedinger.html.

A new paper is published (May. 17, 2015)

A new paper about the iExg theory, titled “Solving the Schrödinger equation of molecules by relaxing the antisymmetry rule: Inter-exchange theory”, H. Nakatsuji and H. Nakashima, J. Chem. Phys., 142, 194101 (2015), is publised. Please check the latest List of Publications.

A new paper is published (Feb. 27, 2015)

A new paper about the Exact theory, titled “Free-complement local-Schrödinger-equation method for solving the Schrödinger equation of atoms and molecules: Basic theories and features”, H. Nakatsuji and H. Nakashima, J. Chem. Phys. 142, 084117 (2015), is publised. Please check the latest List of Publications.

QCRI Seminar (May. 9, 2014)

We are going to have QCRI Seminar as follows:

  • Speaker: Mr. Jared A. Hansen (Michigan State University)
  • Title: “Development and Application of Numerical Methods for Use with Highly Correlated Quantum Chemistry Approaches”
  • Date: May 9 (Fri.), 2014, 3:00 – 4:30pm
  • Place: Seminar room 1 (first floor, south building),
    Kyodai Katsura Venture Plaza, 1-36 Goryo Oohara, Nishikyo-ku, Kyoto, 615-8245

Please download the Poster here . Everyone can join this Seminar.

QCRI-ESICB Joint Colloquium (Mar. 31, 2014)

We are going to have QCRI-ESICB Joint Colloquium as follows:

  • Speaker: Professor Josef Michl
    (Department of Chemistry and Biochemistry, The University of Colorado, Boulder)
  • Title: Alkylation of Gold Surfaces with Main Group Organometallics
  • Date: March 31 (Mon), 2014, 3:00 – 4:30pm
  • Place: Seminar Room 1 on the first floor of South Building, Kyodai Katsura Venture Plaza, 1-36 Goryo Oohara, Nishikyo-ku, Kyoto, 615-8245

Please download the Poster here . Everyone can join this colloquium.

5th JCS International Symposium on Theoretical Chemistry 2013 (Nara, Dec. 2-6, 2013)

The 5th Japan-Czech-Slovakia (JCS) International Symposium on Theoretical Chemistry was held at Nara in Japan on Dec. 2nd – 6th in 2013. Please see Web Site.

Photos of the Symposium are uploaded here.

Our project was accepted as the TSUBAME Ground Challenge Program at Tokyo Institute of Technology, and the results were presented on the panel of the TIT Booth of the SC13 (Denver, USA, Nov. 17-22, 2013)

Our project of solving the Schrödinger Equations was accepted as the TSUBAME Ground Challenge Program 2013 at Tokyo Institute of Technology, and the results were presented on the panel of the TIT Booth of the SC13 (Denver, USA).

Nakatsuji’s paper is ranked Top 4 in Most Read Article of Acc. Chem. Res. (July, 2012)

Nakatsuji’s recent paper,
Discovery of a General Method of Solving the Schrödinger and Dirac Equations That Opens a Way to Accurately Predictive Quantum Chemistry“, H. Nakatsuji, Acc. Chem. Res., 45, 1480-1490 (2012). (DOI: 10.1021/ar200340j),
was ranked Top 4 in Most Read Article of Acc. Chem. Res. in July 2012.

Nakashima wins the Poster Prize at K Computer symposium 2012 (Kobe, Japan, June 14-15, 2012)

Nakashima won the Poster Prize at K Computer symposium 2012 held on 14 and 15 June 2012 in Kobe

Title:”Solving the Schrödinger equation of atoms and molecules with the super parallel machine
H. Nakashima, A. Ishikawa, Y.I. Kurokawa, H. Nakatsuji

Nakashima will have a poster presentation at the International Conference for High Performance Computing, Networking, Strage and Analysis (SC12) at Salt Lake, Utah, U.S.A. in Nov 2012.

 

Award: Senior CMOA Medal (Sep. 14, 2011)

Prof. Nakatsuji was awarded “Senior CMOA Medal” at QSCP-XVI (The XVIth International Workshop on Quantum Systems in Chemistry and Physics ) held at Kanazawa, Japan, in Sep. 2011.

Award Speech is here.

 

Report 4th JCS Symposium on Theoretical Chemistry in Praha (May 18-20, 2011)

The 4th Japan-Czech-Slovakia (JCS) Symposium on Theoretical Chemistry was actively held at the Liblice Castle, situated north of Praha, in May 18-20, 2011. About 70 theoretical chemists, from Czech, Slovakia, and Japan attended and discussed in very friendly and active atmosphere. We would like to thank greatly Prof. Lubomir Rulisek and Prof. Jiri Pittner for organizing the JCS symposium so nicely. We would also like to thank the Ambassador Toshio Kunikata, and the staffs of the Japan Embassy in Praha for generous support and all participants for active and freindly scientific atmosphere.

-> The web site of the 4th JCS Symposium on Theoretical Chemistry is here.
-> Photoalbum of the symposium is now open here.
-> The success of the congress is reported in Bulletin of the Academy of Sciences of the Czech Republic. You can download it from here.

 

about JCS Symposium on Theoretical Chemistry

Prof. Havlas and Prof. Nakatsuji initiated the JCS symposium based on the high-level scientific relationship and warm friendship among Japanese, Czech and Slovak theoretical chemists. Three previous symposium were held at Praha in Czech Republic (2005), Kyoto in Japan (2007) and Bratislava in Slovakia (2009).

The 5th JCS symposium on Theoretical Chemistry is going to be held at Nara Prefectural New Public Hall in May 22-24, 2013. If you are interested, please join the symposium with us.


(Take from Bulletin of the Academy of Sciences of the Czech Republic p.20, Jun-Aug issue (2011))