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Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited
PDF
M. M. Conde and M. A. Gonzalez and J. L. F. Abascal and C. Vega
J.Chem.Phys.
139 154505 (2013)
Supplementary Material
Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation
PDF
E. Sanz and C. Vega and J. R. Espinosa and R. Caballero-Bernal and J.L.F. Abascal and C.Valeriani
J. Am. Chem. Soc.
135 15008 (2013)
Supplementary Material
JACS spotlight comment
On fluid-solid direct coexistence simulations: The pseudo-hard sphere model
PDF
J. R. Espinosa and E. Sanz and C. Valeriani and C. Vega
J.Chem.Phys.
139 144502 (2013)
Monte Carlo simulation of flexible trimers: From square well chains to amphiphilic primitive models
PDF
G. Jimenez-Serratos and A. Gil-Villegas and C. Vega and F. J. Blas
J.Chem.Phys.
139 114901 (2013)
A quantum propagator for path-integral simulations of rigid molecules (Erratum)
PDF
E.G.Noya,C. Vega and C.McBride
J.Chem.Phys.
138 229901 (2013)
Dynamic defrosting on nanostructured superhydrophobic surfaces
PDF
J. B. Boreyko and B. R. Srkjanto and T. D. Nguyen and C. Vega and M. Fuentes-Cabrera and C. P. Collier
Langmuir
29
9516 (2013)
A computer program to evaluate the NVM propagator for rigid asymmetric tops for use in path integral simulations of rigid bodies
PDF
C. McBride, E. G. Noya and C. Vega
Computer Physics Communications
184
885 (2013)
(FORTRAN program)
A simple correlation to locate the three phase coexistence line in methane hydrate simulations
PDF
M. M. Conde and C. Vega
J. Chem. Phys.
138
056101 (2013)
Supplementary Material
Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: The role of the quadrupole
PDF
G.Perez-Sanchez,D.Gonzalez-Salgado, M.M.Pineiro and C.Vega
J. Chem. Phys.
138
084506 (2013)
Free energy calculations for molecular solids using GROMACS
PDF
J. L. Aragones, E. G. Noya, C. Valeriani and C. Vega
J.Chem.Phys.
139
034104 (2013)
Corrected Supplementary information files