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Maria M. Conde
Maria M. Conde
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What ice can teach us about water interactions: a critical comparison of the performance of different water models
C Vega, JLF Abascal, MM Conde, JL Aragones
Faraday discussions 141, 251-276, 2009
4592009
Determining the three-phase coexistence line in methane hydrates using computer simulations
MM Conde, C Vega
The Journal of chemical physics 133 (6), 064507, 2010
2072010
The thickness of a liquid layer on the free surface of ice as obtained from computer simulation
MM Conde, C Vega, A Patrykiejew
The Journal of chemical physics 129 (1), 014702, 2008
1612008
Heat capacity of water: A signature of nuclear quantum effects
C Vega, MM Conde, C McBride, JLF Abascal, EG Noya, R Ramírez, ...
The Journal of chemical physics 132 (4), 046101, 2010
1182010
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
JL Aragones, MM Conde, EG Noya, C Vega
Physical Chemistry Chemical Physics 11 (3), 543-555, 2009
812009
The phase diagram of water at negative pressures: Virtual ices
MM Conde, C Vega, GA Tribello, B Slater
The Journal of chemical physics 131 (3), 034510, 2009
772009
Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line
JM Míguez, MM Conde, JP Torré, FJ Blas, MM Piñeiro, C Vega
The Journal of Chemical Physics 142 (12), 124505, 2015
752015
Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins
EG Noya, MM Conde, C Vega
The Journal of chemical physics 129 (10), 104704, 2008
722008
Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited
MM Conde, MA Gonzalez, JLF Abascal, C Vega
The Journal of Chemical Physics 139 (15), 154505, 2013
662013
Absence of superheating for ice Ih with a free surface: A new method of determining the melting point of different water models
C Vega, M Martin-Conde, A Patrykiejew
Molecular Physics 104 (22-24), 3583-3592, 2006
652006
Competition between ices Ih and Ic in homogeneous water freezing
A Zaragoza, MM Conde, JR Espinosa, C Valeriani, C Vega, E Sanz
The Journal of chemical physics 143 (13), 134504, 2015
592015
Note: A simple correlation to locate the three phase coexistence line in methane-hydrate simulations
MM Conde, C Vega
The Journal of Chemical Physics 138 (5), 056101, 2013
522013
High precision determination of the melting points of water TIP4P/2005 and water TIP4P/Ice models by the direct coexistence technique
MM Conde, M Rovere, P Gallo
The Journal of chemical physics 147 (24), 244506, 2017
512017
Can gas hydrate structures be described using classical simulations?
MM Conde, C Vega, C McBride, EG Noya, R Ramírez, LM Sesé
The Journal of chemical physics 132 (11), 114503, 2010
512010
Spontaneous NaCl-doped ice at seawater conditions: focus on the mechanisms of ion inclusion
MM Conde, M Rovere, P Gallo
Physical Chemistry Chemical Physics 19 (14), 9566-9574, 2017
432017
The phase diagram of water from quantum simulations
C McBride, EG Noya, JL Aragones, MM Conde, C Vega
Physical Chemistry Chemical Physics 14 (29), 10140-10146, 2012
412012
Structural properties and fragile to strong transition in confined water
M De Marzio, G Camisasca, MM Conde, M Rovere, P Gallo
The Journal of chemical physics 146 (8), 084505, 2017
332017
Molecular dynamics simulations of freezing-point depression of TIP4P/2005 water in solution with NaCl
MM Conde, M Rovere, P Gallo
Journal of Molecular Liquids 261, 513-519, 2018
292018
Freezing temperatures, ice nanotubes structures, and proton ordering of TIP4P/ICE water inside single wall carbon nanotubes
P Pugliese, MM Conde, M Rovere, P Gallo
The Journal of Physical Chemistry B 121 (45), 10371-10381, 2017
272017
Path integral Monte Carlo simulations for rigid rotors and their application to water
EG Noya, LM Sesé, R Ramírez, C McBride, MM Conde, C Vega
Molecular Physics 109 (1), 149-168, 2011
242011
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Artículos 1–20