Publications by the researcher in collaboration with JON LOPEZ ZORRILLA (6)

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

  2. pyCSH: Automated atomic-level structure generation of bulk C-S-H and investigation of their intrinsic properties

    Cement and Concrete Research, Vol. 183

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

2021

  1. Relationship between Atomic Structure, Composition, and Dielectric Constant in Zr-SiO2Glasses

    ACS Omega, Vol. 6, Núm. 43, pp. 28561-28568