458 citations · 1.2k across the 11 of their papers we have counts for
3 papers · 1 filter
Molecular simulation of methane hydrate growth confined into a silica pore
Ángel M. Fernández-Fernández, María M. Conde, Germán Pérez-Sánchez +2
The growth of a methane hydrate seed within a silica slit pore of fixed width has been studied using AllAtom Molecular Dynamics (AA-MD). An AA force field has been used to describe…
The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase
J. L. Aragones, M. M. Conde, E. G. Noya +1
In this work the high pressure region of the phase diagram of water has been studied by computer simulation by using the TIP4P/2005 model of water. Free energy calculations were pe…
What ice can teach us about water interactions: a critical comparison of the performance of different water models
C. Vega, J. L. F. Abascal, M. M. Conde +1
The performance of several popular water models (TIP3P, TIP4P, TIP5P and TIP4P/2005) is analysed. For that purpose the predictions for ten different properties of water are investi…