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cs.CL2026
Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning
Chen Tang, Yizhou Wang, Jianyu Wu +26
Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and pe…
cond-mat.mtrl-sci2026
MatterSim-MT: A multi-task foundation model for in silico materials characterization
Han Yang, Xixian Liu, Chenxi Hu +25
Accurate property characterization is a major bottleneck in materials design. While first-principles methods and task-specific machine-learning models have driven important progres…