March 6, 2025
|
Inspired.Lab, Tokyo, Japan

Hands-on Introduction to Mat3ra.com

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Speaker
Timur Bazhirov
|
Founder and CEO of Mat3ra.com
March 6, 2025
Inspired.Lab, Tokyo, Japan

This workshop at the Inspired Labs location in Tokyo, Japan, on March 6, 2025, aims to provide participants with an in-depth understanding of the capabilities offered by Mat3ra.com, specifically tailored for materials science research. Through interactive sessions, hands-on demonstrations, and Q&A discussions, attendees will gain insights into optimizing HPC resources for computational modeling, data management, and automation workflows within the Mat3ra platform. The workshop is free of charge, in English and Japanese.

2025 年 3 月 6 日に東京の Inspired Labs で開催されるこのワークショップは、参加者に Mat3ra.com が提供する、材料科学研究に特化した機能についての深い理解を提供することを目的としています。インタラクティブなセッション、ハンズオン デモンストレーション、Q&A ディスカッションを通じて、参加者は Mat3ra プラットフォーム内での計算モデリング、データ管理、自動化ワークフローのための HPC リソースの最適化について理解を深めることができます。ワークショップは無料です、英語と日本語です。

Event registration

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Details

We invite our Japanese audience to the hands-on workshop in Tokyo, at the Inspired.Lab in Otemachi. The workshop is free of charge.

東京大手町のInspired.Labで開催されるハンズオンワークショップに日本の聴衆を招待します。ワークショップは無料です。

Presenters

The workshop is organized by Mat3ra Japan and will feature:

ワークショップはMat3ra Japanが主催し、以下の方々が登壇します。

  • Dr. Timur Bazhirov, Founder and CEO of Mat3ra.com
  • Kazuki Mori, Senior Researcher, ITOCHU Techno-solutions • Computational Scientist (Consultant), Mat3ra Japan
  • Mr. Jean-Dominique Francois, Business Development Lead, Mat3ra Japan

One can learn more about the presenters at https://www.mat3ra.com/about.

このワークショップは Mat3ra Japan が主催し、次の内容を予定しています。 Timur Bazhirov 氏、Mat3ra.com 創設者兼 CEO、森 一樹氏、伊藤忠テクノソリューションズ主任研究員 • Mat3ra Japan 計算科学者(コンサルタント) Mat3ra Japan

Target audience

Scientists and Engineers working in condensed matter physics, materials science, chemistry, and related fields specializing in Density Functional Theory (DFT), Molecular Dynamics (MD), and related approaches.

Pre-requisites: some knowledge of basic physics concepts in materials science, such as crystal structures and physical properties of materials.

Recommended pre-requisites: familiarity with Linux/UNIX command line,  basic knowledge of DFT, familiarity with simulation codes such as Quantum ESPRESSO, VASP, or similar.

The workshop is intended to be interactive with involved hands-on sessions, and a target audience size of 15-25.

Workshop structure

This workshop aims to provide participants with an in-depth understanding of the capabilities offered by Mat3ra.com, specifically tailored for materials science research. Through interactive sessions, hands-on demonstrations, and Q&A discussions, attendees will gain insights into optimizing HPC resources for computational modeling, data management, and automation workflows within the Mat3ra platform.

Agenda

Time

Contents

Notes / Presenter(s)

10:00 - 12:10

The introduction to Mat3ra.com:

  • the approach

  • the main components and their relationships

  • the resources available

Timur Bazhirov, Ph.D.
Kazuki Mori, Ph.D.

12:10 - 13:00

Lunch break + Networking

Food will be provided

13.00 - 15.00

Hands-on demonstration:

  • Materials structures

  • Simulation Workflows

  • Simulation Jobs

Timur Bazhirov, Ph.D.
Kazuki Mori, Ph.D.

15:00 - 17.00

Advanced Topics:

  • Python-based usage through RESTful API

  • Scalability and HPC-related topics

Timur Bazhirov, Ph.D.
Kazuki Mori, Ph.D.

17:00 ~ 18:00

Optional:

  • Networking and light snacks

Timur Bazhirov, Ph.D.
Jean-Dominique Francois

References

  1. Timur Bazhirov, “Data-centric online ecosystem for digital materials science”, manuscript, 2019, arxiv.org preprint: https://arxiv.org/abs/1902.10838 
  2. Protik Das, Mohammad Mohammadi, and Timur Bazhirov, “Accessible computational materials design with high fidelity and high throughput”, manuscript, 2018, arxiv.org preprint: https://arxiv.org/abs/1807.05623 
  3. Protik Das and Timur Bazhirov, “Electronic properties of binary compounds with high fidelity and high throughput”, Journal of Physics: Conference Series, volume 1290, pages 012011, 2019 
  4. Timur Bazhirov and E. X. Abot, “Fast and accessible first-principles calculations of vibrational properties of materials”, manuscript, 2018, arxiv.org preprint: https://arxiv.org/abs/1808.10011 
  5. Mohammad Mohammadi, Timur Bazhirov, “Comparative benchmarking of cloud computing vendors with high-performance Linpack”, Proceedings of the 2nd International Conference on High-Performance Compilation, Computing and Communications, 2018, https://dl.acm.org/citation.cfm?doid=3195612.3195613