WHEN
4-8 March 2013
WHERE
RIKEN Advanced Institute for Computational Science(RIKEN AICS)
7-1-26, Minatojima-minami-machi, Chuo-ku, Kobe, Hyogo, 650-0047
TEL : +81-78-940-5555
Access
Nichii Kobe Portisland center
7-1-5, Minatojima-minami-machi, Chuo-ku, Kobe, Hyogo, 650-0047
TEL : +81-78-304-5991
Access
SPONSORS
Institute for NanoScience and Design (INSD),Osaka University
Department of Physics, Graduate School of Science, Osaka University
Cybermedia center Osaka University
Institute for Molecular Science
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)
UNDER THE AUSPICES OF
RIKEN Advanced Institute for Computational Science(RIKEN AICS)
BACKGROUND&MOTIVATION
The basic foundations of our technology, and its foreseen development in the 21st century, basically lie on the physical sciences and, if one desires to distinguish, also material science. To meet the ever-increasing demand for novel materials, and at the same time satisfy the growing public concern for the energy/power consumption and environmental impacts, novel routines other than relying on the age-old tradition of trial-and-error/hit-and-miss would be necessary. Given these circumstances, we need to develop novel theoretical routines and techniques that could quickly and efficiently find novel materials for synthesis, that would suit our purposes. The theoretical routines and techniques necessary should incorporate quantum mechanics per se, and should not be dependent on experimental results and/or empirical parameters. Ab-Initio/First Principles Calculations satisfy all these requirements. With recent developments in computational techniques, coupled with the rapid progress in computer efficiency, ab-initio/first principles-based COMPUTATIONAL MATERIALS DESIGN (CMD®) is now a reality. Its impact/influence on industrial R&D should increase with the passing years. The purpose of these series of workshops is to provide the participants with a first-hand experience of how COMPUTATIONAL MATERIALS DESIGN (CMD®) is carried out, provide them with the basic knowledge and techniques, to better prepare them for the new paradigm in materials science research.
COURSE OFFERINGS
Lectures, as well as hand-on sessions, will be conducted for the purpose of imparting on the participants various quantum simulations techniques, that could be applied in performing ab-initio based design of nano-materials and nano-devices.
  1. Fundamentals of AB-INITIO calculations
  2. Materials Design -from the basics to actual applications-
  3. MACHIKANEYAMA2002(training)
  4. STATE-Senri(training)
  5. Osaka2k(training)
  6. ABCAP(training)
  7. HiLAPW(training)
  8. NANIWA-Series(training)
  9. ES-OPT(training)
  10. RSPACE(training)
  11. Ecalj(training)
  12. et alia
MAX. # of Participants
40 participants(Add'l participants will be considered based on the essay content written in the application form.)
EXPENSES
There is no registration fee.
[However, each participant is expected to shoulder expenses they may incur during the workshop (travel, board and lodging, printed materials, etc.).]
CMD®fund
On this CMD® workshop, we set up CMD® fund supported by CMSI, and support travel expense (transportation and accommodation fees) for students to attend this workshop. Students who belong to educational research organization in Japan and wish to attend CMD® workshop, but cannot prepare transportation and accommodation fees, can apply for it. We will support transportation fee from belonging organization to the venue and accommodation fee according to business trip procedure of the University of Tokyo, which CMSI belongs to, and not support the fixed amount independently of belonging organization. We will ask applicants to fill in the application form below and write 1000 words about the motivation and purpose of participation. According to the application form, screened at CMD® managing meeting and the approved person can be supported. After attending, we will request to submit the attending report in the format we will send.
the application form pdf rtf

APPLICATION PROCEDURE
Please fill up the corresponding forms provided below, and send it by fax AND e-mail (both) to:
NOTICE:
When you apply for the CMD workshop, you must inform us of a plan to visit Japan if you do not belong to a Japanese university/institute/company as a student or staff.
We do not support your visa application, travel fee, accommodation. You must visit Japan and come venue yourself.
Form
Beginners Course: Application Form pdf rtf
Advanced Course: Application Form pdf rtf
Expert Course: Application Form pdf rtf
Supercomputer Course: Apprication Form pdf rtf

E-mail：cmd[@ mark]insd.osaka-u.ac.jp　
FAX : +81-6-6850-6342 　 CMD® SECRETARIAT,Institute for NanoScience Design (INSD), Osaka University
APPLICATION DEADLINE
27 January 2013
COURSE CONTENTS & SCHEDULE
For details follow the links below.

Beginners Course (〜25 people) (PROGRAM)
  • CMD®Studies and Special Lectures
  • Basic Principles of Ab-Initio Calculation
  • Introductory Hands-On (covering all the simulation codes offered）

Advanced Course (〜15 people) (PROGRAM)
  • CMD®Studies and Special Lectures
  • CMD® Intensive Hands-On (concentrating on 2 simulation codes chosen by the participant from among the codes offered）

Expert Course
  • CMD®CMD®Studies and Special Lectures
  • CMD® Practicum

Supercomputer Course(limited to 4 people) (PROGRAM)
  • CMD®Studies and Special Lectures
  • CMD® Practicum(RSPACE)
  • To take this course, please bring your own PC.

CMD®Studies and Special Lectures
  • CMD®Studies(3)
    Yunoki(Riken),Kasai(Osaka University),Kaneta(Fujitsu)
  • Special Lectures(2)
    Kitaura(Kobe University),Hirao(Riken)
Reference Material
code characteristics
（M）MACHIKANEYAMA2002 The package, which features both high speed and high accuracy, uses the KKR-Green’s function method. This is an all-electron method and does not suffer from any serious truncation errors such as those associated with plane-wave cutoffs. Moreover, the CPA (coherent potential approximation) is integrated into the package making it applicable not only to crystals but also to disordered systems such as impurity systems, random substitutional alloys and mixed crystals. Since the Green’s function of the system is calculated, the package provides a good starting point for first-principles calculations of linear response theory, many-body effects, and so on.
（N）NANIWA-Series NANIWA series is a computational code for performing first principles quantum dynamics calculations.
（O）Osaka2k The package includes the basic electronic calculation of the ground state of solids, band-structure calculation, phonon calculation, molecular-dynamical simulation, etc.
（A）ABCAP All Electron Band Structure Calculation Package(ABCAP) provides Full-potential Linearized Augmented Plane Wave (FLAPW) calculation.
（H）HiLAPW2002 Hiroshima Linear-Augmented-Plane-Wave (HiLAPW) program package described here is designed to perform band-structure calculations based on the density functional theory (DFT).
（S）STATE-Senri STATE(Simulation Tool for Atom TEchnology) is a first-principles calculation software package based on DFT using a plane wave basis set and ultrasoft pseudopotentials.
（E）ES-Opt ES-OPT is a first-principles calculation software package based on DFT using a plane wave basis set and norm-conserving psedopotentials. This program codes in fortran90 is written so as to be easily readable tractable source codes. The ES-OPT package is used as a base to realize techniques including
1) meta-dynamics simulations,
2) multi-reference DFT calculations.
（R）RSPACE RSPACE is a first-principles calculation software package based on DFT using a Real-Space Finite-Difference Method.
（EJ）Ecalj In preparation
（T）TSPACE TSPACE is a program package for generating space group, crystal symmetry, etc...,

EXECUTIVE COMMITTEE
Hisazumi AKAI (Director, Groningen Center for Education and Research, Osaka University), Chairperson）
Hideaki KASAI (Professor, Graduate School of Engineering, Osaka University)
Hiroshi
KATAYAMA-YOSHIDA		 (Professor, Graduate School of Engineering Science, Osaka University)
Naoshi SUZUKI (Professor, Faculty of Engineering Science, Kansai University)
Tadashi ITOH (Professor, Vice Director of INSD, Osaka University)
Noriaki HAMADA (Professor, Faculty of Science, Tokyo University of Science)
Tamio OGUCHI (Professor, The Institute of Scientific and Industrial Research (ISIR), Osaka University)
Masaaki GESHI (Specially Appointed Associate Professor, INSD, Osaka University)Secretariat

STEERING COMMITTEE　CMD®CONSORTIUM
Hisazumi AKAI (Groningen Center for Education and Research, Osaka University, OU-QEDRI)
Hideaki KASAI (Graduate School of Engineering, Osaka University, OU-QEDRI)
Hiroshi
KATAYAMA-YOSHIDA		 (Graduate School of Engineering Science, Osaka University, OU-QEDRI)
Naoshi SUZUKI (Faculty of Engineering Science, Kansai University)
Kouichi KUSAKABE (Graduate School of Engineering Science, Osaka University, OU-QEDRI)
Hiroshi NAKANISHI (Graduate School of Engineering, Osaka University, OU-QEDRI)
Masako OGURA (Graduate School of Science, Osaka University)
Wilson Agerico DIÑO (Graduate School of Science, Osaka University, OU-QEDRI）
OU-QEDRI Osaka University Quantum Engineering Design Research Initiative

CONTACT
CONTACT
"Computational Materials Design (CMD®) Workshop"
Chairperson
　Hisazumi AKAI 　 　(Director, Groningen Center for Education and Research, Osaka University)
Secretariat
　Masaaki GESHI 　(Specially Appointed Associate Professor, Institute for NanoScience and Design, Osaka University)

Toyonaka, Osaka 560-8531,JAPAN
URL: http://www.insd.osaka-u.ac.jp
e-mail： cmd[@mark]insd.osaka-u.ac.jp
TEL:+81(Japan)-6-6850-6342 　FAX:+81(Japan)-6-6850-6342

MISCELLANEOUS INFORMATION
The former workshops are( CMD20, CMD20, CMD19, CMD18, CMD17, CMD16, CMD1-15）
Affiliation Position
University
University
Technical Colleges
National Research Institutes
Private Enterprise

photograph of
participator(CMD21) 		Student
Prof., Assoc. Prof., Asst. Prof., Research Asst., Technical Staff, Researcher,
Prof., Assoc. Prof., Asst. Prof.,
Supervisor, Asst. Supervisor, Researcher
Advanced Algorithms & Systems Corp., Asahi Glass Co., Ltd., Aquxite Systems, CANON, CHISSO Corp., DENSO, EPSON, FDK, FUJITSU, FUJI Films, Hitachi  High-Technologies Corp., Hitachi Maxell, IBM, Idemitsu Kosan Co., Ltd., Japan Research Institute, Kansai Electric Power Co., Inc., Joetsu Electric Corp., KEIHANNA, KOBELCO, KONICA MINOLTA, kuraray, KYOCERA, Matsushita Battery Industrial Co., Ltd., Matsushita Electric Industrial Co., Ltd.(Panasonic), Matsushita Electric Works, Ltd., Matsushita Techno Research Co., Ltd., Mitsubishi Chemical Corp., Mitsubishi GAS Chemical Co., Mitsubishi Electric Corp., Mitsubishi Heavy Industries, Ltd., Mitsubishi Rayon Co., Ltd., Mitsui Mining and Smelting Co., Ltd., Murata Manufacturing Co., Ltd., NEC, NGK, NHK,Nippon Shokubai Co., Ltd., Nippon Steel Corp., Nippon Thermostat, Nissan Chemical Industries, Ltd., NLM, NTT Microsystem Integration Lab, OMRON Corp., OSAKA Titanium technologies Co., Ltd., PTT, RICOH, ROHM, SANYO, SEI, Semiconductor Energy Laboratory Co., Ltd., SHARP, Shin-Etsu Chemical Co., Ltd., SONY, Sony Chemical & Information Device Corp., TDK, Tokyo Electron TOKYO GAS, TOSHIBA, TOSHIBA Corp. R&D Center, Toshiba Lighting and Technology Corp., TOYOTA Central R&D Labs, Inc., TOYOTA Motor Corp., Yamato Konron Planning, Ltd.
(alphabetical order)

★☆Information☆★

FAQ

  • All the courses are English?
    Usually, most participants are Japanese students(M.S or Ph.D course) or researchers who belong to a company or University etc... The official language depends on the amount of participants who come from foreign countries. Hands-on practices can be given in English and Japanese completely. However, lectures of case studies may be given in Japanese or English, depending on speakers. The texts and contents(PPT files)can be given in English. We have several tutors and they support the hands-on practices by English.
  • What are some materials and books that the participants can read prior to coming to the CMD workshop?
    The texts of this workshop will be uploaded on the Web site of the workshop from the end of previous month.

Questionnaire&Comment

  • About theme：Metal oxide Material,conducting materials
    If you'd like to know a specific application of the code, you should participate the advanced course and discuss the teachears about materials that you'd like to caculate.
  • About theme：Excited states calculation(photocatalytic properties) Linear scaling method and multi-scale simulation.
    The excited states calculation is quite advanced. If you'd like to know this, you should participate the advanced course and discuss about the topic with teachears.


    • Any other Questionnaire(pdf)

Asia CMD® Workshop

Link
    Since 2012/11/27