The 3rd NIMS International Standardization Seminar
The 157th AMCP Open Seminar
~ Co-hosted by VAMAS Japan ~
Schedules
2021.01.20
Finished
Date & Time
January 20, 2021 (Wednesday) 14:00-16:40
Registration
Please apply to RCAMC Office by e-mail .
Invitation to the Zoom meeting will be sent the day before.
To : amc=ml.nims.go.jp (Please change "=" to "@")
Subject : Registration for the 157th Open Seminar
Deadline : Tuesday, January 19, 2021, 12:00
Speaker
- ICHIMURA Shingo, Professor (Waseda University)
- HITOSUGI Taro, Professor (Tokyo Institute of Technology)
- TOGO Atsushi, Principal Researcher (NIMS)
Title
- Construction of measurement/analysis platform for materials development – Results of NEDO project and standardization
- Materials research based on digital laboratory
- Reproducibility and automation in computational materials science
Abstract
- To fabricate material with a new function, it is important to consider integrated analysis of data obtained by using various analytical instruments. However, it is currently difficult since data format of an analytical instrument is different from that of different analytical instrument. To solve this problem, a NEDO project titled “Development of combined measurement and characterization systems to accelerate the development of energy-saving products” has been performed during 2018-2019. One of the targets of the project is to ensure the independent availability in cyberspace of data obtained by various analytical instruments. A common data format and software to convert data from the original format of each analytical instruments to the common format are developed. The outline of the NEDO project and a new project which aims at the standardization of the common data format are introduced in the presentation.
- A lot of materials data have become obtainable by using computer simulation due to exponential increase of computing power and progress of software development. However, increasing complexity of calculational methodologies and a large amount of data make computational research difficult to be reproducible, which is now widely accepted as “reproducibility crisis.” European projects for reproducibility have been initiated, and as a part of it, a workflow automation-environment for computational science has been developed actively by worldwide collaboration. I would like to present practical examples of application of this automation environment to first-principles phonon calculations and show how the data and process flow are stored consistently.
