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Maxim Moraru, Weiyi Xia, Zhuo Ye, Feng Zhang, Yongxin Yao, Ying Wai Li, Cai-Zhuang Wang
Moraru et al., (2025). exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design. Journal of Open Source Software, 10(115), 8879, https://doi.org/10.21105/joss.08879
Machine learning Material databases Heterogeneity HPC workflows
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