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cond-mat.mtrl-sci2026
CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative Models
Chengqian Zhang, Yucheng Jin, Duo Zhang +2
Crystal generative models mainly learn what stable crystals look like, with little explicit supervision for what makes them stable. We reveal a substantial representation gap betwe…
cond-mat.mtrl-sci2024
An Extendable Cloud-Native Alloy Property Explorer
Zhuoyuan Li, Tongqi Wen, Yuzhi Zhang +8
The ability to rapidly evaluate materials properties through atomistic simulation approaches is the foundation of many new artificial intelligence-based approaches to materials ide…