List of works - Giuseppe B. Suffritti

A coarse-grained method based on the analysis of short molecular dynamics trajectories for the simulation of non-Markovian dynamics of molecules adsorbed in microporous materials.

scientific article published in August 2014

A lattice-gas cellular automaton to model diffusion in restricted geometries

scientific article published on 01 July 2006

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

A network of discrete events for the representation and analysis of diffusion dynamics.

scientific article published on November 2015

A parallelizable block cellular automaton for the study of diffusion of binary mixtures containing CO2 in microporous materials.

scientific article

Atom pair potential for molecular dynamics simulations of structural and dynamical properties of aluminosilicates: test on silicalite and anhydrous Na-A and Ca-A zeolites and comparison with experimental data

Chemical potential evaluation in NVT lattice-gas simulations

scientific article published on 01 October 2012

Combining off-lattice Monte Carlo and cellular automata for the simulation of hard-sphere systems.

scientific article published on 28 August 2014

Computer simulations of dynamic crossover phenomena in nanoconfined water.

scientific article published on 25 January 2012

Conciliating synchronicity with spatial discretization, exclusion, interactions, and detailed balance

scientific article published on 6 December 2013

Diffusion anomaly as a function of molecular length of linear molecules: levitation effect

article published in 2003

Diffusion in tight confinement: a lattice-gas cellular automaton approach. I. Structural equilibrium properties.

scientific article published in May 2007

Diffusion in tight confinement: a lattice-gas cellular automaton approach. II. Transport properties

scientific article published on 01 May 2007

Distributions of single-molecule properties as tools for the study of dynamical heterogeneities in nanoconfined water

scientific article published on 27 March 2014

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

scientific article published on 01 August 2008

Effective interactions in multisite cells for adsorption in microporous materials

scientific article published on 01 April 2009

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

scientific article published on 4 May 2011

From thermodynamic cell models to partitioning cellular automata for diffusion in zeolites. I. Structure of the algorithm

scientific article published in December 2009

From thermodynamic cell models to partitioning cellular automata for diffusion in zeolites. II. Static and dynamic properties

scientific article published on 01 December 2009

Introducing a cellular automaton as an empirical model to study static and dynamic properties of molecules adsorbed in zeolites.

scientific article published on 6 September 2008

Molecular dynamics simulation study of superhydrated perdeuterated natrolite using a new interaction potential model

scientific article published on 01 April 2006

Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches

scientific article published on 23 July 2015

Reverse Mössbauer effect as a possible source of "hot" molecules absorbed in crystalline solids at low temperature

scientific article published on 01 September 2016

Simulation of growth of Ni-Zr interfacial amorphous regions under nonequilibrium conditions

scientific article published on 01 August 1994

Speeding up simulation of diffusion in zeolites by a parallel synchronous kinetic Monte Carlo algorithm

scientific article published on 11 May 2011

Synchronous equilibrium model for the diffusion of mutually exclusive particles in a heterogeneous lattice of adsorption sites.

scientific article published on 21 June 2013

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

scientific article published on 21 June 2010

The central cell model: a mesoscopic hopping model for the study of the displacement autocorrelation function.

scientific article published in May 2011

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

article

Thermodynamics of the one-dimensional parallel Kawasaki model: exact solution and mean-field approximations

scientific article published on 15 August 2014

Understanding diffusion in confined systems: methane in a ZK4 molecular sieve. A molecular dynamics simulation study

scientific article published on 01 September 2005

List of works by Giuseppe B. Suffritti