CMC Research Live Streaming Seminar Introduction to First Principles Calculation Held on October 28 (Friday) Sponsored by: CMC Research Co., Ltd.

CMC Research
[Live Streaming Seminar] Introduction to First Principles Calculation Held on October 28 (Friday) Sponsored by: CMC Research Co., Ltd. This seminar will be a webinar (live distribution seminar) using the video conferencing tool “Zoom” on the day.

CMC Research Co., Ltd. (Nishiki-cho, Kanda, Chiyoda-ku:
https://cmcre.com/), which provides cutting-edge technology and market information, holds seminars on market trends and technology trends for various materials and chemicals. We are publishing a book, and this time we welcomed Masaaki Geshi, a specially appointed associate professor at the Emerging Science Design R3 Center, Osaka University, as a lecturer for a seminar titled “Introduction to First Principles Calculation”, on October 28, 2022. (Friday) From 10:30, it will be held live using ZOOM. The tuition fee is 55,000 yen (tax included) for the general public, 49,500 yen (tax included) for members of our e-mail magazine, and 26,400 yen (tax included) for the academic price (including materials).
For more information and to apply for the seminar, please visit our URL below!  https://cmcre.com/archives/98021/
There will be time for Q&A, so please feel free to join us.
In recent years, an increasing number of companies are considering introducing first-principles calculations as a tool that can reproduce atomic and molecular level behavior based on quantum mechanics with high accuracy. Since 2000, the packaging of those software has progressed, and many paid and free ones have become available, but I see cases where they are used without understanding the difference. The development of user-friendly GUIs has progressed, and there are some things that can be done with just a mouse operation, but because of that, results can be obtained without knowing the details of the contents, so the results are rather accurate. If you don’t have the power to judge whether something is true or not, you may end up believing the wrong results. In order to use it correctly, we will explain the preparations and procedures for actually using it, and the knowledge to use it correctly, focusing on what you actually do. Even if you decide to introduce it, you will need a computer to run it, and we will also introduce what you need to do to manage and operate it. In addition, the K computer
It received a lot of attention, but many people have excessive expectations that they can do anything with it. We will introduce computational science, the position of first-principles calculation in it, what it can do, what it cannot do, and how to use it.
1) Seminar theme and date
Theme: Introduction to First Principles Calculation
– Grasping principles and acquiring practical knowledge and know-how – Date and time: Friday, October 28, 2022 10:30-16:30
Participation fee: 55,000 yen (tax included) *with materials * 49,500 yen (tax included) for mail magazine subscribers
*Academic price is 26,400 yen (tax included)
Lecturer: Mr. Masaaki Geshi Project Associate Professor, Emerging Science Design R3 Center, Osaka University
[Knowledge gained from the seminar]
・ Outline of first-principles calculation and information for learning it ・ Features and differences of many first-principles calculation software ・ Overview of other scientific computing software for materials science ・ Matters to be considered when introducing computational science ・ Information on the introduction and use of computers for using scientific computing software
*This seminar will be a live distribution seminar using the video conferencing tool “Zoom” on the day. Please refer to the tool for the recommended environment. At a later date, we will send you a separate email with the URL for viewing.
★Recording or filming during the course is strictly prohibited. 2) How to apply
CMC Research seminar site
https://cmcre.com/archives/98021/
Please apply from
We will send you a separate email with the viewing URL.
Please see the URL for details.
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3) Introduction of seminar program
1. Simulation in materials science
 1.1 Types of simulation in material science/materials science  1.2 Overview of first-principles calculation
1.3 Some application examples
 1.4 Simulation is essential for Japan to survive
~ Improving ICT skills, humans make mistakes when repeating the same things! ~ 2. First-principles calculation based on density functional theory 2.1 Brief theoretical background
 2.2 Types and characteristics of calculation methods
~ You can’t do everything with just one method! ~
2.3 What is the actual first-principles calculation software? ~From the source code to how to get it~
2.4 Specific calculation procedure
~ About the contents of the output file from the input file
2.5 Points to note when performing first-principles calculations ~It doesn’t make sense if you don’t calculate “properly”! ~
3. Preparation of environment for performing first-principles calculations ~ From software, PC clusters to supercomputers ~
3.1 What kind of calculator should I prepare?
“You can’t do anything with a supercomputer!” ~
 3.2 Current computer trends
~ Correct view of supercomputer ranking ~
 3.3 How to use an external computer
 3.4 Installing the first-principles calculation software
 3.5 Advice for actual implementation
4. Should first-principles calculations be introduced in-house? 4.1 Is first-principles calculation necessary for in-house research? 4.2 What software should I choose?
~ Famous software is not necessarily good! ~
4.3 Who will do it? How should I learn?
4.4 Key points when conducting joint research with academia
4.5 To achieve fruitful results.
~ Leave the rice cake shop to the rice cake shop, but also train yourself! ? ~ Simple demonstration of first-principles calculations by time 4) Instructor introduction
[Activities]
We are also researching physical properties using first-principles calculations, especially high-pressure physical properties,
spintronics, and recently, the development of crystal structure search methods. Development of human resources related to first-principles calculation (computer materials design (CMD(R)) workshop secretariat (http://phoenix.mp.es.osaka-u.ac.jp/CMD/index.html)) We also develop human resources related to High Performance Computing (Computational Science and Technology Special Course A/B
(https://www.r-ccs.riken.jp/outreach/schools/tokuronb-2020/)). Member of the Physical Society of Japan and the High Pressure Society of Japan. Related books
“HPC Technology for Computational Science 1 & 2”
http://www.osaka-up.or.jp/books/ISBN978-4-87259-586-4.html,
http://www.osaka-up.or. jp/books/ISBN978-4-87259-587-1.html, The Art of High Performance Computing for Computational Science, Vol.1, https://link.springer.com/book/10.1007/978-981-13-6194-4,
The Art of High Performance Computing for Computational Science, Vol. 5) Seminar target audience and benefits
* This seminar will be a live distribution seminar using the video conferencing tool “Zoom” on the day. Please refer to the tool for the recommended environment. At a later date, we will send you a separate email with the URL for viewing.
★ Recording or filming during the course is strictly prohibited. [Seminar Target]
・ Those who want to know what first-principles calculation is ・ Those who want to know what can be done with first-principles calculation ・Those who are considering introducing first-principles calculation or scientific and engineering calculation software for materials science ・ Those who are considering using or introducing high-performance computers such as supercomputers and PC clusters
☆ Click here for details and application ↓
https://cmcre.com/archives/98021/
6) Information on webinars (online distribution seminars)
〇 Molecular robots that work in groups – From basic principles to future applications –
Date and time: October 12, 2022 (Wednesday) 13:30-16:30
https://cmcre.com/archives/102806/
〇 Trends in automotive resin recycling technology in Europe
Date and time: October 12, 2022 (Wednesday) 13:30-15:00
https://cmcre.com/archives/102135/
〇 Fundamentals and applications of surface treatment technology Date and time: October 13, 2022 (Thursday) 10:00-17:00
 https://cmcre.com/archives/100205/
〇 Thermoacoustic device capable of cooling and power generation from heat Date and time: October 13, 2022 (Thursday) 13:30-16:30
 https://cmcre.com/archives/102035/
〇 3 hours of fast learning! Super Introductory Plastics Seminar Take a short course and become a “beginner” at once!
Date and time: October 13, 2022 (Thursday) 13:30-16:30
 https://cmcre.com/archives/102120/
〇 Fundamentals and Applications of Battery Management Systems (BMS) Date and time: Friday, October 14, 2022, 13:30-16:30
 https://cmcre.com/archives/100909/
〇 Development trends and marine degradation of
bioplastics/biodegradable plastics
Date and time: Friday, October 14, 2022, 13:30-17:30
 https://cmcre.com/archives/97697/

〇 Fundamentals and applications of ALD (Atomic Layer Deposition)/ALE (Atomic Layer Etching) technology
Date and time: October 17, 2022 (Monday) 10:00-16:00
 https://cmcre.com/archives/98178/
〇 Basics of fine bubbles and examples of their use
Date and time: October 17, 2022 (Monday) 13:30-16:30
 https://cmcre.com/archives/100349/
〇 Fundamentals and applications of mechanochemistry by pulverization Date and time: Tuesday, October 18, 2022, 13:30-16:30
 https://cmcre.com/archives/102390/
〇 Technological trends in CMOS digital image sensing and AI/computing Date and time: Tuesday, October 18, 2022, 10:00-17:00
 https://cmcre.com/archives/102275/
〇 Fundamentals and applications of CO2 capture technology
Date and time: October 19, 2022 (Wednesday) 13:30-16:30
 https://cmcre.com/archives/101992/
〇 Basics of Microwave Heating – From Microwave Ovens to
High-Temperature Heating Furnaces –
Date and time: October 19, 2022 (Wednesday) 10:30-16:30
 https://cmcre.com/archives/100314/
〇 Basic knowledge of silicone and application examples of high functionality Date and time: October 20, 2022 (Thursday) 13:30-16:30
 https://cmcre.com/archives/100732/
〇 Safety measures for LiB batteries learned from fire accidents Date and time: October 20, 2022 (Thursday) 13:30-16:30
 https://cmcre.com/archives/100868/
☆ Click here for a list of upcoming webinars! ↓
https://cmcre.com/archives/category/cmc_all/
7) Information on related books
(1) Trends in research and development of thermoelectric conversion materials using computational science
  https://cmcre.com/archives/96038/
■ Issue: April 12, 2022
■ Supervision: Takao Mori / Junichiro Shiomi
■ Regular price: 90,000 yen (99,000 yen including tax)
Body + CD (color) 100,000 yen (110,000 yen including tax)
   ★ E-mail magazine members: 10% off the list price!
■ Appearance: A4 size, average size, 214 pages
■ Edited and published by CMC Research Co., Ltd.
 ISBN 978-4-910581-18-7
↓ Click here for details and purchase
https://cmcre.com/archives/96038/
(2) Trends in research and development of storage batteries using AI, MI, and computational science
  https://cmcre.com/archives/81783/
■ Issue: June 28, 2021
■ Supervisor: Hiroki Moriwake
(Non-profit General Incorporated Foundation Fine Ceramics Center (JFCC)) ■ List price: Body (black and white) 90,000 yen (99,000 yen including tax) Booklet + CD (color) 100,000 yen (110,000 yen including tax)    ★ E-mail magazine members: 10% off the list price!
■ Appearance: A4 size, standard product, text 246 pages
■ Edited and published by CMC Research Co., Ltd.
 ISBN 978-4-910581-05-7
↓ Click here for details and purchase
https://cmcre.com/archives/81783/
(3) (Study by yourself) Practical R Chemo/Material/Data Science ~With Appendix R Script~
  https://cmcre.com/archives/69966/
■ Issue: December 30, 2020
■ Author: Shigehiko Kanaya and others
■ List price: 100,000 yen (110,000 yen including tax) (with appendix CD)     ※The PDF of the book on the CD is protected by copyright.    ★ E-mail magazine members: 10% off the list price!
■ Appearance: A4 size, standard product, 308 pages, color
■ Edited and published by CMC Research Co., Ltd.
 ISBN 978-4-904482-95-7
↓ Click here for details and purchase
https://cmcre.com/archives/69966/
(4) Fundamentals of informatics for material and process development and the forefront of R&D
  https://cmcre.com/archives/63571/
■ Issue: August 1, 2020
■ Supervisor: Kimito Funatsu (Professor, Graduate School of
Engineering, The University of Tokyo)
■ List price: Body (black and white) 90,000 yen (99,000 yen including tax) Body + CD (color) 100,00 yen (110,000 yen including tax)
   ★ E-mail magazine members: 10% off the list price!
■ Appearance: A4 size, standard product, text 270 pages
■ Edited and published by CMC Research Co., Ltd.
ISBN 978-4-904482-84-1
↓ Click here for details and purchase
https://cmcre.com/archives/63571/
☆ Click here for a list of published books ↓
https://cmcre.com/archives/category/cmc_all/
that’s all
Details about this release:
https://prtimes.jp/main/html/rd/p/000002092.000012580.html


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One thought on “CMC Research Live Streaming Seminar Introduction to First Principles Calculation Held on October 28 (Friday) Sponsored by: CMC Research Co., Ltd.

  1. I want to to thank you for this wonderful read!!
    I absolutely enjoyed every little bit of it. I have
    got you book marked to check out new stuff you post

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