All Stories

  1. A new method for comparing crystal structures with data from X-ray diffraction experiments

    Article • Journal of Applied Crystallography, August 2024, International Union of Crystallography

    Alberto Otero de la Roza

  2. Finding critical points and reconstruction of electron densities on grids

    Article • The Journal of Chemical Physics, June 2022, American Institute of Physics

    Alberto Otero de la Roza

  3. A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism

    Article • The Journal of Chemical Physics, March 2022, American Institute of Physics

    Alberto Otero de la Roza

  4. Application of XDM to ionic solids: The importance of dispersion for bulk moduli and crystal geometries

    Article • The Journal of Chemical Physics, August 2020, American Institute of Physics

    Alberto Otero de la Roza