164 citations · 735 across the 17 of their papers we have counts for
17 papers
Entropy Multiparticle Correlation Expansion for a Crystal
Santi Prestipino, Paolo V. Giaquinta
As first shown by H. S. Green in 1952, the entropy of a classical fluid of identical particles can be written as a sum of many-particle contributions, each of them being a distinct…
Ground state of weakly repulsive soft-core bosons on a sphere
Santi Prestipino, Paolo V. Giaquinta
We study a system of penetrable bosons embedded in a spherical surface. Under the assumption of weak interaction between the particles, the ground state of the system is, to a good…
Residual Multiparticle Entropy for a Fractal Fluid of Hard Spheres
Andrés Santos, Franz Saija, Paolo V. Giaquinta
The residual multiparticle entropy (RMPE) of a fluid is defined as the difference, , between the excess entropy per particle (relative to an ideal gas with the same temperature…
Linear Quantum Entropy and Non-Hermitian Hamiltonians
Alessandro Sergi, Paolo V. Giaquinta
We consider the description of open quantum systems with probability sinks (or sources) in terms of general non-Hermitian Hamiltonians.~Within such a framework, we study novel poss…
On the determination of phase boundaries via thermodynamic integration across coexistence regions
M. C. Abramo, C. Caccamo, D. Costa +4
Specialized Monte Carlo methods are nowadays routinely employed, in combination with thermodynamic integration (TI), to locate phase boundaries of classical many-particle systems.…
Phase behavior of a double-Gaussian fluid displaying water-like features
C. Speranza, S. Prestipino, G. Malescio +1
Pair potentials that are bounded at the origin provide an accurate description of the effective interaction for many systems of dissolved soft macromolecules (e.g., flexible dendri…
Twofold reentrant melting in a double-Gaussian fluid
S. Prestipino, C. Speranza, G. Malescio +1
Isotropic pair potentials that are bounded at the origin have been proposed from time to time as models of the effective interaction between macromolecules of interest in the chemi…
Fluids in porous media: The case of neutral walls
Giuseppe Pellicane, Richard L. C. Vink, Bruno Russo +1
The bulk phase behavior of a fluid is typically altered when the fluid is brought into confinement by the walls of a random porous medium. Inside the porous medium, phase transitio…
Hexatic phase and water-like anomalies in a two-dimensional fluid of particles with a weakly softened core
Santi Prestipino, Franz Saija, Paolo V. Giaquinta
We study a two-dimensional fluid of particles interacting through a spherically-symmetric and marginally soft two-body repulsion. This model can exist in three different crystal ph…
Thermodynamic and structural anomalies of the Gaussian-core model in one dimension
Cristina Speranza, Santi Prestipino, Paolo V. Giaquinta
We investigated the equilibrium properties of a one-dimensional system of classical particles which interact in pairs through a bounded repulsive potential with a Gaussian shape. N…
Hexatic phase in the two-dimensional Gaussian-core model
S. Prestipino, F. Saija, P. V. Giaquinta
We present a Monte Carlo simulation study of the phase behavior of two-dimensional classical particles repelling each other through an isotropic Gaussian potential. As in the analo…
Evaluation of phenomenological one-phase criteria for the melting and freezing of softly repulsive particles
Franz Saija, Santi Prestipino, Paolo V. Giaquinta
We test the validity of some widely used phenomenological criteria for the localization of the fluid-solid transition thresholds against the phase diagrams of particles interacting…
Entropy-based measure of structural order in water
Rubens Esposito, Franz Saija, A. Marco Saitta +1
We analyze the nature of the structural order established in liquid TIP4P water in the framework provided by the multi-particle correlation expansion of the statistical entropy. Di…
On the Geometry and Entropy of Non-Hamiltonian Phase Space
Alessandro Sergi, Paolo V. Giaquinta
We analyze the equilibrium statistical mechanics of canonical, non-canonical and non-Hamiltonian equations of motion by throwing light into the peculiar geometric structure of phas…
Phase diagram of softly repulsive systems: The Gaussian and inverse-power-law potentials
S. Prestipino, F. Saija, P. V. Giaquinta
We redraw, using state-of-the-art methods for free-energy calculations, the phase diagrams of two reference models for the liquid state: the Gaussian and inverse-power-law repulsiv…
Phase diagram of the Gaussian-core model
S. Prestipino, F. Saija, P. V. Giaquinta
We trace with unprecedented numerical accuracy the phase diagram of the Gaussian-core model, a classical system of point particles interacting via a Gaussian-shaped, purely repulsi…
Ab-initio Molecular Dynamics study of electronic and optical properties of silicon quantum wires: Orientational Effects
A. M. Saitta, F. Buda, G. Fiumara +1
We analyze the influence of spatial orientation on the optical response of hydrogenated silicon quantum wires. The results are relevant for the interpretation of the optical proper…