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 Last Update DEC. 29, 1999
 RIKEN Symposium: 
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  Large scale calculation of electronic states
--- Exploring dynamical properties of materials ---
November 4-5, 1999
 
Nishina Hall
The Institute of Physical and Chemical Research (RIKEN)
2-1 Hirosawa, Wako 351-0198, Japan    [Access Guide]

CONFERENCE PHOTOS 
Click the speaker's name on the program,
or check the photo page.

Related Web Site       Physics News
 

ABSTRACT IS NOW AVAILABLE 
abstract.ps   (1999/10/16, postscript file, 340Kbyte)

SCOPE
(1) Application of large scale DFT calculations to surface reactions, spin devices, and geophysical problems
(2) New Methods for very large calculations of dynamical properties in electronic states, such as time dependent methods, polynomial expansions, and Suzuki-Trotter decomposition.

PROCEEDINGS DEADLINE CHANGED
New Deadline is Jan. 14, 2000.
The Proceedings will be published as a special issue of "RIKEN Review" (ISSN 0919-3405 ).
 

REGISTRATION FEE
Free (Including one copy of the Proceedings)
RECEPTION & BANQUET
Reception is in the evening of Nov. 4.  (1000yen/person) .
Banquet    is in the evening of Nov. 5.  (Free for registered participants, please register at tomoko@atlas.riken.go.jp) .
ACCOMMODATIONS
Hotel reservation service by the organizing committee for invited speakers and foreign participants (single room around $80/night).
Hotels near RIKEN

Conference Secretaries
         Tomoko Ohata [Right]  (RIKEN, Computational Science Div.)
            Ryoko Akai      [Left ]  (RIKEN, Computational Science Div.)

PROGRAM

Speaker
Time Affiliation
Title
Web site References
Nov. 4. Morning 
9:20--- 9:30  
Opening  
Masuo Suzuki   
(Sci. U. of Tokyo)
9:30---11:40  
Surface 
Chair: Maki Kawai (RIKEN)
[4a-1] Bird, David 40 Bath U. Promotion and poisoning of hydrogen dissociation on Cu(111) [Home] * * 
[4a-2] Harrison, Nicholas 40 CLRC Daresbury Lab. Defects and Dynamics at Oxide Surfaces from First Principles [Home]
[4a-3] Morikawa, Yoshitada 30 JRCAT First-principles study of chemical reactions at metal surfaces [Home] * * * * 
[4a-4] Pichierri, Fabio 20 RIKEN First Principles DFT Study of Ethylene Adsorption on Pd(110)
Lunch 80
Nov. 4. Afternoon 
13:00---15:10 Algorithm[1] 
Chair: Takeo Fujiwara  
(U. of Tokyo)
[4p-1] Suzuki, Masuo 30 Science U. of 
Tokyo
Separation of Procedures in Numerics [Home]
[4p-2] Nakayama, Tsuneyoshi 30 Hokkaido U.  The forced oscillator method: Its principle and applications * * * * * 
* * * * * 
[4p-3]  Tanaka, Hiroshi 30 Shimane U. Efficient scheme to calculate Green functions by recursive polynomial expansion  * * *
[4p-4]   Iitaka, Toshiaki 20 RIKEN Time-dependent Schrodinger equations and Chebyshev polynomials for electronic state calculation [Home] * * * * * 
J
[4p-5] Kurokawa, Yoshiyuki 20 RIKEN Calculation for linear/non-linear optical response function of Large quantum system by real-time real-space higher-order finite-difference method [Home] *
Coffee break 

* * * * * * * * * * 
* * * * * * *  *  * *  
 

20
15:30---16:50 Geophysics 
Chair: Nicholas Harisson 
(CLRC Daresbury Lab.)
[4p-6]  Tsuneyuki, Shinji 30 U. of Tokyo Path-Integral Simulation of Solid Hydrogen under High Pressure [Home] * 
[4p-7] Ackland, Graeme 30 Edinburgh U. Elastic properties as a pointer to phase transitions [Home] * * * 
[4p-8] Yamamoto,Tomoyuki 20 RIKEN First principle calculations of materials deep inside the earth
17:00---18:00  
Poster Session 
18:00---20:00 Reception (1000yen/person) 

* * * * * * * * * * 

 
Speaker
Time Affiliation
Title
Web site References
Nov. 5 Morning 
9:30---11:40  
DFT Methods 
Chair: David Bird (Bath U.)
[5a-1] Ordejon, Pablo * * 40 CSIC Large Scale DFT Calculations with SIESTA * * 
[5a-2] Hoshi, Takeo 30 U. of Tokyo Theory of Multi-band Wannier states and Order-N electronic-structure method [Home]
[5a-3] Sugino, Osamu 30 NEC Time-dependent density functional molecular dynamics simulation * 
[5a-4] Trail, John  * * *  30 Bath U. Embedding methods for large-scale surface calculations
Lunch 80
Nov.5. Afternoon 
13:00---14:00 
Spin Dynamics and Quantum Computer 
Chair: Mio Murao (RIKEN)
[5p-1] Tamura, Eiiti 30 JRCAT The Photo-Spintronics: a possible way to Quantum Devices [Home] * * * * * * 
[5p-2] Miyashita, Seiji 30 U. of Tokyo Numerical Simulation of Quantum Dynamics in Dissipative Environments [Home] * 
14:00---15:40  
Laser 
Chair: Katsumi Midorikawa 
(RIKEN)
[5p-3]  Bandrauk, D. Andre * * *  * 40 U. of Sherbrooke Numerical methods for molecules in intense laser fields 
  ---Time dependent Schroedinger and Dirac equations---
[Home] * * * * * *
[5p-4]  Kono, Hirohiko * * * *  30 Tohoku U. Dual Transformation Method: Application to the Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields [Home] * 
[5p-5] Nguyen Hong Shon 30 RIKEN Harmonic generation by atoms, interacting with intense ultrashort laser pulses [Home] * 
Coffee break 

* * * * * * * 

10
15:50---16:50 
Algorithm [2] 
Chiar: Shintaro Nomura  
(Tsukuba U.)
[5p-6]  Watanabe, Naoki 20 U. of Tokyo Fast and stable method for simulating electron dynamics. [Home]
[5p-7] Mayou, Didier 20 LEPES-CNRS Wave Packets Dynamics by Optimized Polynomials Methods
[5p-8] Yokojima, Satoshi 20 U. of Hong Kong  Linear Scaling Computation of Excited States
17:00---18:00  
Poster Session 
18:00 --- 20:00 
Banquet (Free, Sponsored by Dr. Ebisuzaki; Please register at tomoko@atlas.riken.go.jp) 

* * * * * * * * * * * 
* * * * * * * * * * * * * * * 
* * * * * * * * * * * * * *  * 

 
Speaker
Affiliation
Title
Web site References
Posters
[P-1] Fujii, Mikio Waseda U. Decoherence of the Field State in the Single-Mode Laser
[P-2] Futatsugi, Noriyuki  RIKEN Ab Initio Study of the Role of Lysine 16 for the Molecular Switching Mechanism of Ras Protein p21
[P-3] Ishii, Akira Tottori U. Silver-induced reconstruction of Ge(001) using first-principle calculation [Home
[P-4] Mitsutake, Ayori IMS alpha-Helix Propensities of Homo-Oligomers in Aqueous Solution Studied by Multicanonical Simulations [Home]
[P-5] Miura, Shinichi Tokyo Institue of Technology Path integral molecular dynamics for  Bose-Einstein and Fermi-Dirac statistics
[P-6] Morishita, Tetsuya Keio U. First-Principles Molecular Dynamics Simulations of Structural Phase Transitions in Si
[P-7] Munehisa, Tomo Yamanashi U. Calculations for  a delta function of Hamiltonian by the Suzuki-Trotter decomposition [Home]
 [P-8] Okimoto, Noriaki RIKEN Hydrolysis Mechanism of the Phenylalanine-Proline Peptide Bond Specific to HIV-1 Protease: Investigation by the ab Initio Molecular Orbital Method
[P-9] Ohtani, Hiroaki Keio U. Structural and Electronic Properties of Compressed Selenium      and Tellurium under High Pressure  
[P-10] Roche, Stephan U. de Valladolid Applications of O(N) methods to linear response coefficients
[P-11] Shima, Hiroyuki Hokkaido U. Finite time scaling approach for computing dynamic conductivities by the forced oscillator method
Posters will be presented from the morning of Nov.4 to the evening of Nov.5. 
 
 
LANGUAGE for presentation, abstract, proceedings, etc.
English

About RIKEN
RIKEN Home Page    ( English , Japanese )
RIKEN Access Guide ( English , Japanese )
RIKEN History          ( English , Japanese )

FURTHER INFORMATION
http://atlas.riken.go.jp/~iitaka/SYMPO/
Mail-to : tomoko@atlas.riken.go.jp   [send mail]

Advisory Committee (alphabetical order)
  Masaki Itoh          (Shimane U., Dept. of Material Science)
  Masuo Suzuki     (Science U. of Tokyo, Dept. of Applied Physics)
  Masaru Tsukada  (U. of Tokyo, Dept. of Physics)
  Shinji Tsuneyuki (U. of Tokyo, ISSP)
Organizing Committee (alphabetical order)
 Chair:  Toshikazu Ebisuzaki (RIKEN, Advanced Computing Center)
           Yoshinobu Aoyagi    (RIKEN, Semiconductor Engineering Lab.)
           Toshiaki Iitaka     (RIKEN, Computational Science Div.)
           Maki Kawai          (RIKEN, Surface Chemistry Lab. )
           Katsumi Midorikawa  (RIKEN, Laser Technology Lab. )
           Tomo Munehisa   (Yamanashi U., Dept. of Computer & Media Science)
           Shintaro Nomura  (U. of Tsukuba, Institute of Physics)
           Pichierri, Fabio (RIKEN, Computational Science Div.)
           Nguyen Hong Shon (RIKEN, Laser Technology Laboratory)
           Hiroshi Tanaka  (Shimane U., Dept. of Material Science)
           Tomoyuki Yamamoto (RIKEN, Computational Science Div.)
 

FINANCIAL CONTRIBUTION FROM INDIVIDUAL PERSONS
 Prof. Tomo Munehisa  (100,000 yen)

RELATED MEETINGS

  • ICCP5(10/11-10/13)
  • 2nd Korea-Japan Joint Workshop on Electronic Structure Calculations(11/01-11/03)
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    Mail-to : tomoko@atlas.riken.go.jp   [send mail]

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