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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
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|
Time | Affiliation |
|
Web site | References | |
| Nov. 4. | Morning | |||||
| 9:20--- 9:30
Opening Masuo Suzuki (Sci. U. of Tokyo) |
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| 9:30---11:40
Surface Chair: Maki Kawai (RIKEN) |
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| [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.) |
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| [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) | ![]() |
|
|
Time | Affiliation |
|
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 | ![]() |
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| Nov.5. | Afternoon | |||||
| 13:00---14:00
Spin Dynamics and Quantum Computer Chair: Mio Murao (RIKEN) |
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| [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.) |
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| [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) * *
* *
* *
* *
* *
*
|
![]() |
|
|
Affiliation |
|
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. |
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
REGISTRATION FORM for Audience
Mail-to : tomoko@atlas.riken.go.jp [send
mail]
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