Acknowledgements

Thank you all for your participation; together, we made this workshop a great success.
We enjoyed fruitful scientific discussions, inspiring presentations, and a truly collaborative atmosphere.
Thanks again!

Overview

Join us for the upcoming workshop on

 “Material Science: Modeling & Design in Action”

 This workshop will bring together leading experts and researchers to discuss the latest advances in computational and experimental approaches for material design. The event will focus on real-world applications, highlighting innovative methodologies and emerging trends in the field. Topics will include machine learning, generative AI, computational methods such as DFT, thermodynamic modeling (CALPHAD), multiscale modeling, high-throughput characterization, and materials design for structure-property relationships.

 📅 Date: Wednesday, May 21 (13:30) – Thursday, May 22 (12:00)

📍 Location: NIMS Auditorium, Namiki Site, Tsukuba, Japan

Registration is now closed, but all NIMS and external researchers are welcome to attend the workshop talks as free listeners. Those who registered before the end of April (including poster and oral presenters) will have access to the provided lunches on May 21 and 22, as well as the banquet on the evening of May 21.

We look forward to insightful discussions and exciting collaborations!

Local contacts: J-C. Crivello (jean-claude.crivello _at_ cnrs.fr), G. Lambard (NIMS), T. Abe (NIMS)

https://link.cnrs.fr/

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Scientific Program

Confirmed Speakers:

• Tetsuo Mohri (Hokkaido University): Constraints on a free energy in a discrete lattice and a continuous space
• Helene Zapolsky (GPM - Univ. Rouen Normandy): Multiscale modelling of alloy microstructure using the phase field model
• Toshiyuki Koyama (NIMS): Improvement of the accuracy of microstructure image generative AI using the phase-field method.
• Arkapol Saengdeejing (NIMS): Thermodynamic Modeling based on Neural Network Potential
• Jean-Marc Joubert (CNRS - ICMPE): Site occupancies in the TCP phases including the most complex ones
• Taichi Abe (NIMS): Ordered structures with weak long range order
• Mariano Forti (RUB - ICAMS): Machine learning relative stability of complex intermetallic phases
• Runan Xie (CNRS - SIMAP): Machine learning prediction of the enthalpy of mixing of BCC, FCC and HCP solid solutions
• Thomas Vaubois (Safran Tech): High-Throughput Study of Oxidation Resistance of Nickel-Based Superalloys
• Wenhao Zhang (NIMS): Thermodynamic Modeling and analysis of the sigma-phase based on DFT and GNN
• Masahiko Demura (NIMS): Inverse design for structural materials with MInt and AI
• Tsuyoshi Miyazaki (NIMS): Large-scale DFT simulations of complex materials using CONQUEST
• Atsuhsi Togo (NIMS): Recent progress of phonon-phonon and electron-phonon interaction calculations
• Sebastien Junier (CNRS - LINK): Screening new Entropy Stabilized Oxides by DFT calculations and active learning
• Aaditya Manjanath (NIMS): Non-adiabatic excited-state time-dependent GW molecular dynamics satisfying extended Koopmans' theorem
• Ying Chen (Tohoku University): Properties prediction of high-entropy alloys through DFT and machine learning with data augmentation
• Guillaume Lambard (NIMS): AI for Materials Science
• Ryo Tamura (NIMS): Autonomous automated materials explorations using NIMO
• Adroit Fajar (I2CNER, Kyushu University): Molecular discovery with language models: applications in CO₂ capture and solar cells
• Yukari Katsura (NIMS): Starrydata: an open database of materials property data extracted from published plots
• Thomas Hammerschmidt (RUB - ICAMS): Simple relation from interatomic interactions to phase diagram perturbation

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Venue - Logistics

Location

Auditorium of MANA - NIMS (National Institute for Materials Science)
Namiki site:
1-1 Namiki, Tsukuba, Ibaraki, 305-0044 JAPAN

https://www.nims.go.jp/eng/access/tsukuba_namiki.html

Access from Tokyo

From central Tokyo, the Tsukuba Express (TX) train can be taken from Akihabara Station to Tsukuba Station (approximately 45 minutes).

From Tsukuba Station, you can reach the NIMS campus either by taxi or by using the free NIMS shuttle bus, which operates every 20 minutes.

Additional details :

https://www.nims.go.jp/eng/access/nims-bus.html

Accommodations

A list of recommended hotels is provided below:

• Hotel Nikko Tsukuba – Conveniently located in front of the Tsukuba TX station.

• Tsukuba Daily Inn – Located very close to the Namiki NIMS Campus.

• Hotel JAL City Tsukuba – A comfortable option with easy access to key locations in the city.