Publikationen in Zusammenarbeit mit Forschern von Pennsylvania State University (4)

2018

  1. Benchmark of ReaxFF force field for subcritical and supercritical water

    Journal of Chemical Physics, Vol. 148, Núm. 23

2017

  1. cemff: A force field database for cementitious materials including validations, applications and opportunities

    Cement and Concrete Research, Vol. 102, pp. 68-89

2012

  1. Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties

    Journal of the American Chemical Society, Vol. 134, Núm. 4, pp. 2208-2215

  2. Hydration of calcium oxide surface predicted by reactive force field molecular dynamics

    Langmuir, Vol. 28, Núm. 9, pp. 4187-4197