Preprint
Discovery of novel magnetic Y-Mn-B compounds via advanced machine learning guided framework
W. Xia, W. S. Tee, M. Moraru, Y. W. Li, and C. Z. Wang. arXiv:2608.17200 (2026).
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Papers, preprints and software releases
Publications and manuscript outputs that connect workflow development to magnetic and functional materials applications.
Outputs
Papers, preprints and software releases
Published paper
Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing
W. Xia, M. Moraru, Y. W. Li, T. Liao, J. R. Chelikowsky, and C. Z. Wang. Physical Review Materials 10(2), 024403 (2026).
Read the paperPublished paper
exaPD: A highly parallelizable workflow for multi-element phase diagram (PD) construction
F. Zhang, Z. Ye, M. Moraru, Y. W. Li, W. Xia, Y. Yao, and C. Z. Wang. Computer Physics Communications (2026), 110398.
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exa-AMD: An Exascale-Ready Framework for Accelerating the Discovery and Design of Functional Materials
W. Xia, M. Moraru, Y. W. Li, and C. Z. Wang. arXiv:2510.01170 (2025).
Read the preprintSoftware paper
exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design
M. Moraru, W. Xia, Z. Ye, F. Zhang, Y. Yao, Y. W. Li, and C. Z. Wang. Journal of Open Source Software 10(115), 8879.
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