• Density anomaly in water-alcohol mixtures : minimum model for structure makers and breakers 

      Habitzreuter, Marco Antônio; Barbosa, Marcia Cristina Bernardes (2023) [Artigo de periódico]
      We modeled the change in the temperature of maximum density (TMD) of a waterlike solvent when small amounts of solute are added to the mixture. The solvent is modeled as a two length scales potential, which is known to ...
    • Dynamical aspects of supercooled TIP3P–water in the grooves of DNA 

      Santos, Maike Antonio Faustino dos; Habitzreuter, Marco Antônio; Schwade, Marcelo Henrique; Borrasca Neto, Rubens; Antonacci, Matheus Brisola; Gonzatti, Guilherme Kilpp; Netz, Paulo Augusto; Barbosa, Marcia Cristina Bernardes (2019) [Artigo de periódico]
      We investigate by molecular dynamics simulations the mobility of the water located at the DNA minor and major grooves. We employ the TIP3P water model, and our system is analyzed for a range of temperatures 190–300 K. For ...