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Quloud - PIMD



Quloud - PIMD Seminar


Material simulation using first-principles electronic structure calculation software "PIMD"

We are pleased to announce the Quloud Seminar (3rd Edition), co-hosted with the Research Organization for Information Science and Technology (RIST).

This seminar will focus on the newly introduced  PIMD features in Quloud Version 3.0, released on November 1st.

PIMD was developed under the ​project of the Program for Promoting Researchers on the Supercomputer ​"Fugaku​" and is an open-source software with various functionalities. It includes machine learning molecular dynamics/self-learning hybrid Monte Carlo methods, and has a track record of use in the ​"Fugaku" system. 

In this session, we will delve into the details of these features with presentations from the developers, Dr. Motoyuki Shiga and Dr. Yuki Nagai from Japan Atomic Energy Agency.

Additionally, we are honored to have Ms. Kanako Yoshizawa from RIST as a guest lecturer, who will provide insights into the supercomputer "Fugaku."

Following the seminar, join us for a demonstration of our cloud-based material computation platform, "Quloud," led by our developer Junichi Iwata. Experience live material calculations using PIMD and gain insights into Quloud's capabilities.

This event offers a unique opportunity to gain in-depth knowledge directly from the developers and experts. You will have the chance to experience the new features of Quloud and explore the performance of the computational engine. We welcome any questions or inquiries during the seminar.

The progress time is an estimate and is subject to change.

Quloud PIMD demonstration by Junichi Iwata, Quemix


Presentation of Quloud Vers. 3.0 by Junichi Iwata, Quemix


Self-Learning Hybrid Monte Carlo Method: Automation of Machine Learning Potential Learning and Precise Calculations

by Dr. Yuki Nagai, JAEA


Parallel Molecular Simulation Software: PIMD

by Dr. Motoyuki Shiga, JAEA


Materials Simulation at Fugaku and HPCI

by Kanako Yoshizawa, RIST


Opening remarks by Yu-ichiro Matsushita, Quemix



Lectures and demonstrations


Those who are interested in material simulation such as first-principles calculations and molecular dynamics calculations

Target  Audience:



30 people


Video conference (Zoom URL will be sent to those who apply)


Wednesday, December 13, 2023 13:00-16:00


【Speaker Profile】


Kanako Yoshizawa

Chief Researcher, Research organization for Information Science and Technology (RIST) 

After receiving her Ph.D. from Sophia University, she worked as a specially-appointed assistant professor at the Faculty of Science and Engineering, Sophia University, and as a specially-appointed researcher at the Institute for Solid State Physics, The University of Tokyo before assuming her current position at the Research organization for Information Science & Technology (RIST), a registered facility for the K computer and the Fugaku supercomputer, and a representative organization for the "Operation of HPCI" project commissioned by the Ministry of Education, Culture, Sports, Science and Technology (MEXT). She has been in her current position since 2015. She specializes in condensed matter theory. Currently, she oversees supporting the use of "Fugaku".

Dr. Motoyuki Shiga​

Japan Atomic Energy Agency(JAEA) Principal Researcher

Ph.D. from Tokyo Institute of Technology in 1999, a staff member of the Japan Atomic Energy Research Institute in the same year, a visiting associate professor at Yokohama City University in 2005, a Humboldt Fellow at Ruhr University in Germany in 2007, a visiting professor at University of Sassari, Italy in 2009, and a visiting scholar at University of Illinois in 2012. He specializes in theoretical chemistry and computational physics (first-principles calculations, path integral theory) and is the author and main developer of PIMD.

Dr. Yuki Nagai

Japan Atomic Energy Agency(JAEA) Senior Scientist

Ph. D. in 2010 from the Department of Physics, Graduate School of Science, the University of Tokyo. D. in physics from the University of Tokyo in 2010. During this time, he was a visiting researcher at the Department of Physics, Massachusetts Institute of Technology, USA, and at the RIKEN Center for Integrated Research on Innovative Intelligence, and currently a Deputy Senior Researcher at Japan Atomic Energy Agency. He specializes in condensed matter theory and computational physics (mainly integrating machine learning and simulation).

岩田 潤一 製品開発

Junichi Iwata

Product Development, Quemix Inc.

After receiving his Ph.D. from the University of Tsukuba, he worked as a researcher at the National Institute of Advanced Industrial Science and Technology (AIST), an assistant professor at the University of Tsukuba, a specially appointed lecturer at the University of Tokyo, and the director of a center for computational science and technology company before joining Quemix in 2021. 2011 Gordon Bell Peak Performance Award. Responsible for development in Quemix.

Yu-ichiro Matsushita

CEO and Representative Director, Quemix Inc.

After receiving his PhD in engineering from the University of Tokyo, Matsushita worked as a researcher at the Max-Planck-Institut (Germany), an assistant professor at the University of Tokyo, a specially appointed lecturer at the Tokyo Institute of Technology, and is currently a specially-appointed associate professor at the Tokyo Tech Academy for Convergence of Materials and Informatics of the aforesaid university.


​【This seminar has ended. Thank you for your participation.】

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