DOI: 10.1039/d6ta01407k ISSN: 2050-7488
Material characterization of aluminosilicate hydrate geopolymers using deep learning assisted tailor-made potential
Yu Li, Jia-ao Hou, Yuqi Feng, Danyang Zhao, Cheuk Lun Chow, Denvid LauHigh-precision machine learning interatomic potentials are developed for various alkali-activated geopolymer systems, enabling high-fidelity atomic-scale simulations and scalable applications under diverse harsh conditions.