Publications by the researcher in collaboration with Xabier Mendez Aretxabaleta (4)

2024

  1. Exploring the Polymorphism of Dicalcium Silicates Using Transfer Learning Enhanced Machine Learning Atomic Potentials

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 17, pp. 7682-7690

2023

  1. Multi-step nucleation pathway of C-S-H during cement hydration from atomistic simulations

    Nature Communications, Vol. 14, Núm. 1

  2. ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training

    The Journal of chemical physics, Vol. 158, Núm. 16

2022

  1. A potential C-S-H nucleation mechanism: atomistic simulations of the portlandite to C-S-H transformation

    Cement and Concrete Research, Vol. 162