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DECLARATIONS
Acknowledgments
We thank Prof. Jincang Zhang and Dr. Runhai Ouyang for their efforts in the organization of the DCTMD
workshop. Thanks also go to Dr Mohammad Khatamirad of Technische Universität Berlin for his
contribution to the panel and related discussions.

Authors’ contributions
Mainly responsible for writing the manuscript: Kobayashi, R.; Amos, R. D.
Reading and contributing to the ideas presented in this manuscript: Kobayashi, R.; Amos, R. D.; Crawford,
T. D.; Hao, H.; Liu, Y.; Lookman, T.; Ramprasad, R.; Scheffler, M.; Wang, H.; Zhang, T. Y.

Availability of data and materials
The talks from the DCTMD conference for which permission has been granted can be found at https://
www.koushare.com/live/details/33143.

Financial support and sponsorship
This work was supported by the mobility program of Sino-German Center, National Natural Science
Foundation of China (No. M-0209). The authors are grateful to all our sponsors (https://dctmd2024.
scievent.com/sponsors.html) for their generous support of the Workshop. TDC was supported by the U.S.
National Science Foundation via grant CHE-2136142.

Conflicts of interest
This manuscript was processed under a double-blind peer review system. Kobayashi, R. and Wang, H. serve
as Associate Editors of Journal of Materials Informatics, while Liu, Y.; Scheffler, M. and Kobayashi, R. are
Guest Editors of the Special Issue “Unlocking the AI Future of Materials Science”: Selected Papers from the
International Workshop on Data-driven Computational and Theoretical Materials Design (DCTMD).
Zhang, T. Y. is the Editor-in-Chief of Journal of Materials Informatics. None of the above individuals were
involved in any part of the editorial process, including reviewer selection, manuscript handling, or decision
making. The other authors declare no conflicts of interest.

Ethical approval and consent to participate
Not applicable.

Consent for publication
Not applicable.

Copyright
© The Author(s) 2025.

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