Publications by the researcher in collaboration with CARLOS RUMBO LORENZO (4)

2026

  1. A three-tier in silico toxicology framework for formulated essential-oil nanocapsules: integrating molecular hazard, release kinetics and nano-bioavailability for safe-and-sustainable-by-design assessment

    Computational Toxicology, Vol. 39

  2. Electronic structure governs biological fate: Multi-scale computational nanotoxicology of TiO₂ nanoparticles across polymorphs, morphologies, and sizes

    NanoImpact, Vol. 43

2025

  1. In silico exploration of graphene nanoflakes: From DFT simulations to machine learning-driven toxicity predictions

    NanoImpact, Vol. 38

2024

  1. Theoretical multiscale study on the properties, aqueous solution behavior and biological impact of zinc oxide nanoparticles

    Surfaces and Interfaces, Vol. 46