And Tech
January 30 (Monday) AndTech “Efforts and Future Prospects for Accelerating and Promoting Material Search and Development Using Quantum Computers” WEB Online Zoom Seminar Course is scheduled to be held
Mitsui Chemicals Co., Ltd., Mr. Shiho Mukada of Shinshu University, Mr. Ryo Tamura of National Institute for Materials Science, Mr. Takanori of Mitsubishi Chemical Corporation, and Mr. Hideyuki Miho of Fujitsu Limited
AndTech Co., Ltd. (Headquarters: Kawasaki City, Kanagawa Prefecture, President: Masao Suyama, hereinafter AndTech) has launched a first We will hold a lecture on “Quantum Computer Materials Development” consisting of lecturers.
Introduces application examples of material development in quantum computers, details of algorithms, usage of Python code, application examples, presents technical hurdles and paths to practical use, and explains the outline and features of “Digital Annealer”. Introduces examples of application to material development.
This course is scheduled to start on January 30, 2023.
Details: https://andtech.co.jp/seminar_detail/?id=11130
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Live distribution / WEB seminar workshop overview
Theme: Efforts and future prospects for speeding up and promoting materials search and development using quantum computers
Date: January 30, 2023 (Monday) 11:00-17:15
Participation fee: 55,000 yen (tax included) *Materials will be distributed electronically
URL: https://andtech.co.jp/seminar_detail/?id=11130
Web distribution format: Zoom (URL will be sent after application) Seminar course content structure
ーProgram・Lecturerー
∽∽────────────────────────∽∽
Part 1 Trends, examples, and future prospects of materials development using quantum computers
∽∽────────────────────────∽∽
Lecturer: Mr. Shiho Mukoda, Project Promotion Group, Digital Transformation Planning and Management Department, Digital
Transformation Promotion Headquarters, Mitsui Chemicals, Inc. Specially Appointed Associate Professor, Faculty of Engineering, Shinshu University
∽∽────────────────────────∽∽
Part 2 Materials informatics and black-box optimization methods using quantum annealing
∽∽────────────────────────∽∽
Lecturer: Ryo Tamura, Principal Researcher, Quantum Physics Simulation Group, Nano-Theory Field, International Center for Materials Nanoarchitectonics, National Institute for Materials Science ∽∽────────────────────────∽∽
Part 3 Research Cases of Quantum Chemical Calculations and Material Design of Actual Materials Using Quantum Computers
∽∽────────────────────────∽∽
Lecturer: Mr. Min Takashi, Chief Researcher, Science & Innovation Center, Materials Design Laboratory, Mitsubishi Chemical Corporation ∽∽────────────────────────∽∽
Part 4 Material Development Application of Quantum Inspired Technology Digital Annealer
∽∽────────────────────────∽∽
Lecturer: Mr. Hideyuki Miho, Uvance Value Design Office, MI Value Design Department, Uvance Core Technology Division, Fujitsu Limited
Knowledge that can be learned in this seminar and technical problems that can be solved
・Discovering ideas for applying combinatorial optimization problems related to materials development to quantum computers
・Business related to developing quantum computer human resources for non-quantum native human resources
・Chemical reaction calculation algorithm
・Excited state calculation algorithm
・Optimization calculation algorithm
・Error mitigation algorithm for actual machine
Key points in material development and application of quantum technology Attendance format of this seminar
It will be a live distribution seminar using the web conferencing tool “Zoom”. Details will be provided after application.
About AndTech Co., Ltd.
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chemicals, materials, electronics, automobiles, energy, medical equipment, food packaging, building materials, etc.
We provide R&D support services that provide information for clients engaged in R&D in a wide range of fields.
We have first-class instructors, starting with “technical workshops and seminars”, “dispatching instructors”, “publishing”, and
“dispatching consultants”.
We provide various services such as “market trend survey”, “business matching”, and “business development consulting”.
We listen to the voices of our clients and provide effective support to advance into desired new business areas and markets.
https://andtech.co.jp/
AndTech Co., Ltd. List of technical seminars
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We hold a large number of web lecture seminars by leading instructors every month.
https://andtech.co.jp/seminar_category/
AndTech Co., Ltd. Book List
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From a selection of themes, we select those with high needs and publish books. https://andtech.co.jp/books/
AndTech Consulting Service Co., Ltd.
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We dispatch highly specialized technical consultants with a wealth of experience.
https://andtech.co.jp/business_consulting/
Inquiries regarding this matter
AndTech Co., Ltd. Public Relations PR Manager Aoki
E-mail address: pr●andtech.co.jp (please change ● to @ when contacting us) All items in the program below (please see if you are interested in details) Part 1 Trends, examples, and future prospects of materials development using quantum computers
[Purpose of the lecture]
Many people who are involved in materials development feel that they must use quantum computers. However, in response to concerns such as what can be done with quantum computers, how to actually use them, how much should be studied, and what kind of human resources should be acquired or trained, user side We will explore the landing point from the perspective of In addition, we will introduce an application example of material development in a quantum computer specializing in combinatorial optimization problems, which has become active in recent years.
【program】
1. Introduction of quantum computers
1-1. Information gathering
1-2. Tools (quantum cloud services, GPU quantum computers, etc.) 1-3. Building an external network
1-4. In-house introduction of quantum computers
2. Acquisition and development of human resources for quantum computers 2-1. Aptitude of Quantum Computer Human Resources
2-2. Acquiring human resources
2-3.Human resource development
3. Application examples centering on combinatorial optimization problems using quantum computers for materials development
3-1. Quantum chemical calculation
3-2.Combinatorial optimization problem
3-3. Quantum machine learning
3-3. How to explore use cases for materials development using quantum computers 3-4. Future prospects
【Question-and-answer session】
Part 2 Materials informatics and black-box optimization methods using quantum annealing
[Purpose of the lecture]
Materials informatics research using data science is attracting attention in the field of materials science. Black-box optimization, represented by Bayesian optimization, is a method (design of experiments) that can appropriately propose materials to be
manufactured next using the power of machine learning. However, there is a problem that combinatorial explosion occurs due to diversity of material composition, structure, and process, and calculation time is very long in normal black-box optimization. To avoid this problem, we developed a discrete/continuous black-box optimization method using quantum annealing technology.
In this course, we will introduce the details of the algorithm, how to use Python code, and application examples.
【program】
1. Materials informatics by black-box optimization
1.1 Bayesian optimization
1.2 Application example of Bayesian optimization
1.3 Remaining problems in Bayesian optimization
2. Black-box optimization using quantum annealing
2.1 Quantum annealing and Ising machines
2.3 Discrete value black-box optimization method using quantum annealing 2.4 Application of Discrete Value Black Box Optimization Method Using Quantum Annealing to Materials Research
2.5 Continuous value black-box optimization method using quantum annealing 3. Summary and Future Prospects
【Question-and-answer session】
Part 3 Research Cases of Quantum Chemical Calculations and Material Design of Actual Materials Using Quantum Computers
[Purpose of the lecture]
In recent years, major IT companies in Europe, the United States, China, and other countries have stepped up efforts to develop gate-type quantum computers. In addition, development projects at the national level are being promoted, and the competition to develop quantum computers is heating up. Among them, Keio University opened “IBM Q Hub” in May 2018 to research practical problems jointly with industry, government, and academia using IBM’s quantum computer. Mitsubishi Chemical joined Q Hub in June of the same year and started research on the application of quantum computers to the field of chemistry in collaboration with researchers from IBM and Keio University. In this lecture, I will introduce some examples of applied research that I have been doing so far. What kind of technical hurdles are there before practical use, and how can we overcome them? I want to show you the path of
【program】
In this lecture, after explaining the outline of Mitsubishi Chemical’s research activities in the field of quantum computers, we will introduce quantum chemical calculations and material design of real materials using three quantum computers that Mitsubishi Chemical is conducting at Keio University’s IBM Q Network Hub. , 1) “Reaction of Lithium-Air Battery”, 2) “Calculation of Excited State of Organic EL Light-Emitting Material (TADF)”, 3) “Search for Isotopic Organic EL Light-Emitting Materials”.
【Question-and-answer session】
Part 4 Material Development Application of Quantum Inspired Technology Digital Annealer
[Purpose of the lecture]
In this lecture, Fujitsu’s quantum-inspired technology “Digital Annealer” will be explained and its features will be explained, and application examples for material development will be introduced. We will also explain the points for using Digital Annealer at the material development site. In addition, we will show that the possibility of material development and drug discovery approaches can be expanded by appropriately combining computational science and data science by making full use of not only Digital Annealer but also AI and HPC. We hope that through this course, participants will be interested in using Digital Annealer in their work and research activities.
【program】
1. Introducing Digital Annealer
1.1. Background/Features
1.2. Latest generation (4th generation) system introduction, benchmark 1.3. Procedures and points for solving combinatorial optimization problems with Digital Annealer
2. Digital Annealer Material Development Application Introduction 2.1. “Mixture design support” that makes the most of small,
fragmented, and biased data
2.2. Highly Accurate “Material Candidate Screening” Focusing on Molecular/Crystal Structure Similarity
2.3. “Regularization technology” that enables extraction of
relationships between measured spectra and material properties 2.4. “Stable Molecular Structure Search” Realizing High-speed and Accurate Calculations for Molecular Material Design and Drug Discovery 2.5. “Topology optimization” that enables wide-range and high-speed search for device shapes
【Question-and-answer session】
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