1- Structural and dipolar fluctuations in liquid water: a Car–Parrinello molecular dynamics study
Skarmoutsos, I. ; Masia, M. ; Guardia, E.
Chemical Physics Letters 648 102-108 (2016)

2- Hydrogen bonding and related properties in liquid water: a Car-Parrinello molecular dynamics simulation study
Guardia, E. ; Skarmoutsos, I. ; Masia, M.
Journal of Physical Chemistry B 119 8926-8938 (2015)

3- The force matching approach to multiscale simulations: merits, shortcomings, and future perspectives
Masia, M. ; Guardia, E. ; Nicolini, P.
International Journal of Quantum Chemistry 114 1036-1040 (2014)

4- Characterization of the methane-graphene hydrophobic interaction in aqueous solution from ab initio simulations
Calero, C. ; Marti, J. ; Guardia, E. ; Masia, M.
Journal of Chemical Theory and Computation 9 5070-5075 (2013)

5- Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching
Nicolini, P. ; Guardia, E. ; Masia, M.
Journal of Chemical Physics 139 184111 (2013)

6- Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field
Sala Viñas, J. ; Guardia, E. ; Marti, J. ; Spangberg, D. ; Masia, M.
Journal of Chemical Physics 136 054103 (2012)

7- Aqueous halide potentials from force matching of Car-Parrinello data
Spangberg, D. ; Guardia, E. ; Masia, M.
Computational and Theoretical Chemistry 982 58-65 (2012)

8- Improving the force matching algorithm: application to a simple point charge flexible model of water
Guardia, E. ; Masia, M. ; Sala, J.
Computer Physics Communications 182 1954-1957 (2011)

9- The polarizable point dipoles method with electrostatic damping: implementation on a model system
Sala, J.; Guardia, E. ; Masia, M.
Journal of Chemical Physics 133 234101 (2010)

10- On ion and molecular polarization of halides in water
Guardia, E. ; Skarmoutsos, I. ; Masia, M.
Journal of Chemical Theory and Computation 5 1449-1453 (2009)

11- Polarization damping in halide-water dimers
Masia, M. ; Probst, M. ; Rey, R.
Chemical Physics Letters 420 267-270 (2006)

12- On the Coupling between Molecular Diffusion and Solvation Shell Exchange
Møller, K. ; Rey, R. ; Masia, M. ; Hynes, J.
Journal of Chemical Physics 122 114508 (2005)

13- Diffusion coefficient of ionic solvation shell molecules
Masia, M. ; Rey, R.
Journal of Chemical Physics 122 4502 (2005)

14- On the Performance of Molecular Polarization Methods Close to a Point Charge
Masia, M. ; Probst, M. ; Rey, R.
Computer physics communications 169 331-334 (2005)

15- On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation
Masia, M. ; Probst, M. ; Rey, R.
Journal of Chemical Physics 123 164505 (2005)

16- Ethylene carbonate-Li+: a theoretical study of structural and vibrational properties in gas and liquid phases
Masia, M. ; Probst, M. ; Rey, R.
Journal of Physical Chemistry B 108 2016-2027 (2004)

17- On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge
Masia, M. ; Probst, M. ; Rey, R.
Journal of Chemical Physics 121 7362-7378 (2004)

18- Computational study of g-butyrolactone and Li+/g-butyrolactone in gas and liquid phases
Masia, M. ; Rey, R.
Journal of Physical Chemistry B 108 17992-18002 (2004)

19- Reaction rate theory approach to thermodynamic state dependence of hydration shell exchange for Li+(aq)
Masia, M. ; Rey, R.
Journal of Physical Chemistry B 107 2651-2659 (2003)