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cond-mat.mtrl-sci2025
OpenCSP: A Deep Learning Framework for Crystal Structure Prediction from Ambient to High Pressure
Yinan Wang, Xiaoyang Wang, Zhenyu Wang +3
High-pressure crystal structure prediction (CSP) underpins advances in condensed matter physics, planetary science, and materials discovery. Yet, most large atomistic models are tr…
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…