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cond-mat.stat-mech2009★ 52 cited
The range of meta stability of ice-water melting for two simple models of water
Carl McBride, Carlos Vega, Eduardo Sanz +2
A number of crystal structures of water have been `superheated' in Monte Carlo simulations. Two well known models for water were considered; namely the TIP4P model and the SPC/E mo…
cond-mat.stat-mech2008
Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide
Bortolo Matteo Mognetti, Leonid Yelash, Peter Virnau +4
Monte Carlo simulations are presented for a coarse-grained model of real quadrupolar fluids. Molecules are represented by particles interacting with Lennard-Jones forces plus the t…