AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions

arXiv:2511.20976, 2025

A multi-author community roadmap surveying how artificial intelligence is transforming scientific research, and outlining the open challenges and future directions across a broad range of disciplines. Our contribution covers the role of AI and automation in atomistic simulations of materials.

Preprint available at arXiv:2511.20976.

Recommended citation: S. G. Dale, N. Kazeev, A. J. A. Price, et al. (incl. L. Bastonero and N. Marzari), AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions, arXiv:2511.20976 (2025).
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