3 papers
cond-mat.mtrl-sci2026
Reactivity-Informed Machine Learning for Performance Prediction and Design Space Exploration of Alkali-Activated Slag
Qiyao He, Zhanzhao Li, Kai Gong
Establishing quantitative relationships among mix design, raw material properties, curing conditions, and performance remains a long-standing challenge in cementitious materials, p…
physics.chem-ph2026
Gel-Chemistry-Dependent Heavy-Metal Ion Transport and Immobilization in Cementitious Nanopores: A Molecular Dynamics Study
Weiqiang Chen, Qiyao He, Kai Gong
Cementitious materials are widely used for hazardous-waste encapsulation, yet the molecular mechanisms governing heavy-metal ion retention across different gel chemistries remain i…
cond-mat.mtrl-sci2026
Large language model-enabled automated data extraction for concrete materials informatics
Zhanzhao Li, Kengran Yang, Qiyao He +1
The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable…