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cond-mat.mtrl-sci2025
MatTools: Benchmarking Large Language Models for Materials Science Tools
Siyu Liu, Bo Hu, Beilin Ye +3
Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design.…
cond-mat.mtrl-sci2025★ 1 cited
Inverse Materials Design by Large Language Model-Assisted Generative Framework
Yun Hao, Che Fan, Beilin Ye +7
Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we intro…
cond-mat.mtrl-sci2025★ 1 cited
Active Learning for Conditional Inverse Design with Crystal Generation and Foundation Atomic Models
Zhuoyuan Li, Siyu Liu, Beilin Ye +2
Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation mo…