Density maximum and polarizable models of water

Surface properties of the polarizable Baranyai-Kiss water model

(2012) Péter Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

On the pressure calculation for polarizable models in computer simulation

(2012) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Polarizable model of water with field-dependent polarization

(2011) András Baranyai et al.   JOURNAL OF CHEMICAL PHYSICS

Robust three-body water simulation model

(2011) C. J. Tainter et al.   JOURNAL OF CHEMICAL PHYSICS

A flexible model for water based on TIP4P/2005

(2011) Miguel A. González et al.   JOURNAL OF CHEMICAL PHYSICS

A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q

(2011) José Alejandre et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A transferable classical potential for the water molecule

(2010) András Baranyai et al.   JOURNAL OF CHEMICAL PHYSICS

Robust rotational-velocity-Verlet integration methods

(2010) Dmitri Rozmanov et al.   PHYSICAL REVIEW E

Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model

(2009) E. G. Noya et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005

(2009) Carl McBride et al.   JOURNAL OF CHEMICAL PHYSICS

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

(2009) Brad A. Bauer et al.   JOURNAL OF CHEMICAL PHYSICS

Competing quantum effects in the dynamics of a flexible water model

(2009) Scott Habershon et al.   JOURNAL OF CHEMICAL PHYSICS

Incorporating Phase-Dependent Polarizability in Nonadditive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid−Vapor Interface

(2009) Brad A. Bauer et al.   Journal of Chemical Theory and Computation

Development of a Nonlinear Classical Polarization Model for Liquid Water and Aqueous Solutions: COS/D†

(2009) Anna-Pitschna E. Kunz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima

(2009) Helena L. Pi et al.   MOLECULAR PHYSICS

Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water

(2008) George S. Fanourgakis et al.   JOURNAL OF CHEMICAL PHYSICS

The Polarizability of Point-Polarizable Water Models:  Density Functional Theory/Molecular Mechanics Results†

(2008) Bernhard Schropp et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins

(2008) C Vega et al.   JOURNAL OF PHYSICS-CONDENSED MATTER