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cond-mat.mtrl-sci2024
Large Language Models for Material Property Predictions: elastic constant tensor prediction and materials design
Siyu Liu, Tongqi Wen, Beilin Ye +2
Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a…
cs.DC2024★ 3 cited
Dflow, a Python framework for constructing cloud-native AI-for-Science workflows
Xinzijian Liu, Yanbo Han, Zhuoyuan Li +15
In the AI-for-science era, scientific computing scenarios such as concurrent learning and high-throughput computing demand a new generation of infrastructure that supports scalable…
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…