458 citations · 981 across the 4 of their papers we have counts for
3 papers · 1 filter
Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima
Helena L. Pi, Juan L. Aragones, Carlos Vega +4
The so-called thermodynamic anomalies of water form an integral part of the peculiar behaviour of this both important and ubiquitous molecule. In this paper our aim is to establish…
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…
Determination of phase diagrams via computer simulation: Methodology and applications to water, electrolytes and proteins
C. Vega, E. Sanz, J. L. F. Abascal +1
In this review we focus on the determination of phase diagrams by computer simulation with particular attention to the fluid-solid and solid-solid equilibria. The calculation of th…