- 31st August to 4th Sep, 2015
- Graduate School of Engineering Science, Osaka University(Toyonaka Campus)
- Address:1-3 Machikaneyama Toyonaka Osaka 560-8531
- TEL: +81-6-6850-6111
- 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"
- 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.
- Fundamentals of AB-INITIO calculations
- Materials Design -from the basics to actual applications-
- et alia
- MAX. # of Participants
- 40 participants(Add'l participants will be considered based on the essay content written in the application form.)
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.).]
On this CMD® workshop, we pay 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 pay transportation fee from belonging organization to the venue and accommodation fee according to business trip procedure of Osaka University and not pay 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 receive travel expense. After attending, we will request to submit the attending report.
the application form rtf
- APPLICATION PROCEDURE
- Please fill up the corresponding forms provided below, and send it by both fax and e-mail to:
When you apply for the CMD workshop, you must inform us 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, and accommodation. You must visit Japan and come to the venue by yourself.
From this workshop, we ascribe advanced course and supercomputer course to same category.Please choose either supercomputer course (practicing the same code for 5 days) or advanced course(practicing 2 codes from each groups). There is no level difference between 2 courses. You can not take the anterior half or posterior half of supercomputer course and take the rest course of A or B group of advanced course.
Form Beginners Course: Application Form rtf Advanced Course: Application Form rtf Supercomputer Course: Application Form rtf Expert Course: Application Form rtf
FAX : +81-6-6850-6342 CMD® SECRETARIAT,Institute for NanoScience Design (INSD), Osaka University
- APPLICATION DEADLINE
- July 26th, 2015
- COURSE CONTENTS & SCHEDULE
- For details follow the links below.
Beginners Course (〜25 people) (PROGRAM) （PDF version）
- 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) （PDF version）
- CMD®Studies and Special Lectures
- CMD® Intensive Hands-On (concentrating on 2 simulation codes chosen by the participant from among the codes offered）
Supercomputer Course(limited to 4 people) (PROGRAM) （PDF version）
- CMD®Studies and Special Lectures
- CMD® Practicum(STATE-Senri)
- To take this course, please bring your own PC.
- CMD®CMD®Studies and Special Lectures
- CMD® Practicum
CMD®Studies and Special Lectures
- Special Lectures(1)
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 The ecalj is an first-principles electronic structure calculations package in the DFT and GW. It has some unique features. Especially, we can perform the quasiparticle self-consistent GW (QSGW)  calculations based on the PMT method (=the Linearized APW+MTO method). We name this the PMTQSGW. Introduction to PMT-QSGW is given in Sec.1.1. The ecalj web site is at https://github.com/tkotani/ecalj （T）TSPACE TSPACE is a program package for generating space group, crystal symmetry, etc...,
- EXECUTIVE COMMITTEE
Tamio OGUCHI (Professor, The Institute of Scientific and Industrial Research (ISIR), Osaka University), Chairperson Hiroshi
(Professor, Graduate School of Engineering Science, Osaka University) Hisazumi AKAI (Professor, The Institute for Solid State Physics, The University of Tokyo, ) 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) Hideaki KASAI (President, Akashi National College of Technology) Masaaki GESHI (Specially Appointed Associate Professor, INSD, Osaka University)Secretariat
- STEERING COMMITTEE CMD®CONSORTIUM
Hisazumi AKAI (The Institute for Solid State Physics, The University of Tokyo, OU-QEDRI) Hideaki KASAI (President, Akashi National College of Technology, OU-QEDRI) Hiroshi
(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 (Forschungszentrum Julich) Wilson Agerico DIÑO (Graduate School of Science, Osaka University, OU-QEDRI） OU-QEDRI Osaka University Quantum Engineering Design Research Initiative
CONTACT "Computational Materials Design (CMD®) Workshop" Chairperson Tamio OGUCHI (Professor, The Institute of Scientific and Industrial Research (ISIR), 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(
Affiliation Position University
National Research Institutes
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.