MPIP Publications

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Journal Article (7)

  1. 1.
    Usui, K.; Hunger, J.; Bonn, M.; Sulpizi, M.: Dynamical heterogeneities of rotational motion in room temperature ionic liquids evidenced by molecular dynamics simulations. The Journal of Chemical Physics 148 (19), 193811 (2018)
  2. 2.
    Pandey, R.; Usui, K.; Livingstone, R. A.; Fischer, S. A.; Pfaendtner, J.; Backus, E. H. G.; Nagata, Y.; Fröhlich-Nowoisky, J.; Schmüser, L.; Mauri, S. et al.; Scheel, J. F.; Knopf, D. A.; Pöschl, U.; Bonn, M.; Weidner, T.: Ice-nucleating bacteria control the order and dynamics of interfacial water. Science Advances 2 (4), e1501630 (2016)
  3. 3.
    Usui, K.; Nagata, Y.; Hunger, J.; Bonn, M.; Sulpizi, M.: A new force field including charge directionality for TMAO in aqueous solution. The Journal of Chemical Physics 145 (6), 064103 (2016)
  4. 4.
    Nagata, Y.; Usui, K.; Bonn, M.: Molecular Mechanism of Water Evaporation. Physical Review Letters 115 (23), 236102 (2015)
  5. 5.
    Nagata, Y.; Hasegawa, T.; Backus, E. H. G.; Usui, K.; Yoshimune, S.; Ohto, T.; Bonn, M.: The surface roughness, but not the water molecular orientation varies with temperature at the water-air interface. Physical Chemistry Chemical Physics 17 (36), pp. 23559 - 23564 (2015)
  6. 6.
    Ohto, T.; Usui, K.; Hasegawa, T.; Bonn, M.; Nagata, Y.: Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function. The Journal of Chemical Physics 143 (12), 124702 (2015)
  7. 7.
    Usui, K.; Hunger, J.; Sulpizi, M.; Ohto, T.; Bonn, M.; Nagata, Y.: Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution. The Journal of Physical Chemistry B 119 (33), pp. 10597 - 10606 (2015)

Thesis - PhD (1)

  1. 8.
    Usui, K.: Molecular dynamics simulations of aqueous trimethylamine N-oxide solution and room temperature ionic liquids to reveal their microscopic dynamics. Dissertation, Johannes Gutenberg-Universität, Mainz (2017)
 
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