List of works - Marco Masia

A molecular dynamics study and molecular level explanation of pressure dependence of ionic conductivity of potassium chloride in water

scientific article published on 18 May 2011

Ab initio based polarizable force field parametrization

scientific article published in May 2008

Aggregation-induced chemical reactions: acid dissociation in growing water clusters

scientific article published on 25 February 2011

Aggregation-induced dissociation of HCl(H2O)4 below 1 K: the smallest droplet of acid.

scientific article

Bifurcations in spiral tip dynamics induced by natural convection in the Belousov–Zhabotinsky reaction

scientific article published on 01 January 2009

Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory.

scientific article

Boundary based on exchange symmetry theory for multilevel simulations. II. Multiple time scale approach

scientific article published in October 2013

Computational Study of γ-Butyrolactone and Li+/γ-butyrolactone in Gas and Liquid Phases

Computer simulations of dynamic crossover phenomena in nanoconfined water.

scientific article published on 25 January 2012

Connecting structure to infrared spectra of molecular and autodissociated HCl--water aggregates

scientific article published on 04 October 2007

Constructing simple yet accurate potentials for describing the solvation of HCl/waterclusters in bulk helium and nanodroplets

scientific article published on 20 June 2011

Diffusion coefficient of ionic solvation shell molecules

scientific article published on 01 March 2005

Dynamical properties of confined water nanoclusters: Simulation study of hydrated zeolite NaA: structural and vibrational properties

scientific article published on 01 August 2008

Estimating chloride polarizability in a water solution

scientific article published on 9 April 2013

Estimation of Partial Charges in Small Zeolite Imidazolate Frameworks from Density Functional Theory Calculations.

scientific article published on 4 May 2011

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

scientific article published in February 2012

Influence of site-dependent pigment-protein interactions on excitation energy transfer in photosynthetic light harvesting

scientific article published on 30 April 2013

On Ion and Molecular Polarization of Halides in Water.

scientific article published in June 2009

On the coupling between molecular diffusion and solvation shell exchange

scientific article published on 01 March 2005

On the performance of molecular polarization methods close to a point charge

On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge

scientific article published in October 2004

On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation

scientific article published in October 2005

Polarization damping in halide–water dimers

Reaction Rate Theory Approach to Thermodynamic State Dependence of Hydration Shell Exchange for Li+(Aq)

Role of the Reactor Geometry in the Onset of Transient Chaos in an Unstirred Belousov−Zhabotinsky System

Role of the reagents consumption in the chaotic dynamics of the Belousov–Zhabotinsky oscillator in closed unstirred reactors

scientific article published on 29 July 2010

Ruelle-Takens-Newhouse scenario in reaction-diffusion-convection system.

scientific article published in March 2008

The behaviour of water confined in zeolites: molecular dynamics simulations versus experiment

scientific article published on 21 June 2010

The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

article

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

scientific article published on December 2010

List of works by Marco Masia