Comparative assessment of the ELBA coarse-grained model for water

  • Orsi M
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The ELBA force field for water consists of a single spherical site embedded with a point dipole. This coarse - grained model is assessed here through the calculation of fundamental properties of bulk liquid water and the water –vapour interface. Accuracy and efficiency are ...

Author-supplied keywords

  • coarse-grained
  • molecular dynamics
  • surface potential
  • surface tension
  • water

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  • M. Orsi

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