Publications by the researcher in collaboration with XABIER MENDEZ ARETXABALETA (10)

2024

  1. A kinetic Monte Carlo study of the C3S dissolution mechanism

    Cement and Concrete Research, Vol. 180

  2. APTES/Calcium silica hydrate nano-hybrid composites with enhanced mechanical properties

    Construction and Building Materials, Vol. 438

  3. Elucidating the Synergistic Effects of Temperature Rise Inhibitor at the Water Tricalcium Silicate Interface

    Journal of Physical Chemistry C, Vol. 128, Núm. 16, pp. 6800-6812

  4. 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

  5. The initial stages of cement hydration at the molecular level

    Nature Communications, Vol. 15, Núm. 1

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

2020

  1. Electronic and elastic properties of brownmillerite

    Materials Research Express, Vol. 7, Núm. 1

2018

  1. Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole

    IUCrJ, Vol. 5, pp. 706-715