Elvira Guàrdia

发表

The force matching approach to multiscale simulations: Merits, shortcomings, and future perspectives

Marco Masia, Elvira Guàrdia, Paolo Nicolini, 2014 .

Erratum to "Improving the force matching algorithm: Application to a simple point charge flexible model of water" [Comput. Phys. Comm. 182(9) (2011) 1954-1957]

Marco Masia, Elvira Guàrdia, Jonàs Sala, 2011, Comput. Phys. Commun..

Improving the force matching algorithm: Application to a simple point charge flexible model of water

Marco Masia, Elvira Guàrdia, Jonàs Sala, 2011, Comput. Phys. Commun..

Molecular dynamics simulations of water confined in graphene nanochannels: From ambient to supercritical environments

Elvira Guàrdia, Jordi Martí, J. Martí, 2010 .

Molecular dynamics simulation of liquid water along the coexistence curve: Hydrogen bonds and vibrational spectra

Elvira Guàrdia, Jordi Martí, J. Martí, 1996 .

Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field.

Marco Masia, Elvira Guàrdia, Daniel Spångberg, 2012, The Journal of chemical physics.

Potential of mean force by constrained molecular dynamics: A sodium chloride ion-pair in water

Elvira Guàrdia, Rossend Rey, E. Guàrdia, 1991 .

The polarizable point dipoles method with electrostatic damping: implementation on a model system.

Marco Masia, Elvira Guàrdia, E. Guàrdia, 2010, The Journal of chemical physics.

Structure and Dynamics of Liquid Ethanol

Elvira Guàrdia, Leonor Saiz, L. Saiz, 1997 .

Dielectric properties and infrared spectra of liquid water: Influence of the dynamic cross correlations

Elvira Guàrdia, Jordi Martí, J. Martí, 1994 .

Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water

Elvira Guàrdia, Ioannis Skarmoutsos, E. Guàrdia, 2017 .

Ionic Association of Na+-Cl-, Na+-Na+ and Cl--Cl- in Methanol: Mean Force Potentials and Friction Kernels

Elvira Guàrdia, E. Guàrdia, J. A. Padró, 1995 .

Protons in supercritical water: a multistate empirical valence bond study.

Elvira Guàrdia, Jordi Martí, J. Martí, 2004, Journal of the American Chemical Society.

Na+–Na+ and Cl−–Cl− ion pairs in water: Mean force potentials by constrained molecular dynamics

Elvira Guàrdia, Rossend Rey, E. Guàrdia, 1991 .