Related papers: Solidification of small para-H2 clusters at zero t…
The samples of hcp solid helium (1% $^3$He in $^4$He) are studied by NMR technique. The samples are grown by the blocking capillary method at different growth rates (about 8, 2, and 0.08 mK/s). The NMR technique is used for phase…
The phase diagram at zero temperature of $^4$He adsorbed on an helium incommensurate triangular solid on top of a single graphene sheet has been obtained using the diffusion Monte Carlo method. We have found that, in accordance with…
Hydrogen single-particle dynamics in solid LiH at T=20 K has been studied through the incoherent inelastic neutron scattering technique. A careful analysis of the scattering data has allowed for the determination of a reliable…
For solid 4He and solid p-H2, using the flow-energy-minimizing one-body phase function and exact T=0 K Monte Carlo calculations of the local density, we have calculated the phase function, the velocity profile and upper bounds for the…
Investigating thermodynamic properties of liquid-solid transitions of flexible homopolymers with elastic bonds by means of multicanonical Monte Carlo simulations, we find crystalline conformations that resemble ground-state structures of…
With numerical simulations of the mW model of water, we investigate the energetic stability of crystalline clusters for both Ice I (cubic and hexagonal ice) and for the metastable Ice 0 phase as a function of the cluster size. Under a large…
The equilibrium phase behaviour of hard spheres with size polydispersity is studied theoretically. We solve numerically the exact phase equilibrium equations that result from accurate free energy expressions for the fluid and solid phases,…
Wet granular materials are characterized by a defined bond energy in their particle interaction such that breaking a bond implies an irreversible loss of a fixed amount of energy. Associated with the bond energy is a nonequilibrium…
We employed a fully optimized Shadow Wave Function (SWF) in combination with Variational Monte Carlo techniques to investigate the properties of HD molecules and molecular ortho-deuterium (o-D_2) in bulk solid para-hydrogen (p-H_2).…
In this Ph.D. thesis quantum Monte Carlo methods are applied to investigate the properties of a number of ultracold quantum systems. In Chapter 1 we discuss the analytical approaches and approximations used in the subsequent Chapters; also…
Extensive Monte Carlo simulations of bulk liquid para-hydrogen at a temperature T=16.5 K have been carried out using the continuous-space Worm Algorithm. Results for the momentum distribution, as well as for the kinetic energy per particle…
Water clusters embedding a nitric acid molecule HNO3(H2O)_{n=1-10} are investigated via electrostatic deflection of a molecular beam. We observe large paraelectric susceptibilities that greatly exceed the electronic polarizability,…
The pasta phases are calculated for warm stellar matter in a framework of relativistic mean-field models, including the possibility of light cluster formation. Results from three different semiclassical approaches are compared with a…
The metastable vapor-liquid coexistence of short-range attractive fluids hinders the formation of crystal nuclei, which in turn makes difficult the progress of the system towards its vapor-solid ground state. In this letter we show that…
The effects of density dependence of the symmetry energy on the collective modes and dynamical instabilities of cold and warm nuclear and stellar matter are studied in the framework of relativistic mean-field hadron models. The existence of…
Using both the density-matrix renormalization group method and the constrained-path quantum Monte Carlo method, we have studied the ground-state energies and the spin and hole densities of a $12 \times 3$ Hubbard model with open boundary…
We describe how Monte Carlo simulation within the grand canonical ensemble can be applied to the study of phase behaviour in polydisperse fluids. Attention is focused on the case of fixed polydispersity in which the form of the `parent'…
We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n=4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with…
We study a two-dimensional fluid of dipolar hard disks by Monte Carlo simulations in a square with periodic boundary conditions and on the surface of a sphere. The theory of the dielectric constant and the asymptotic behaviour of the…
We calculate the ground-state energy of 4He, 8He, 16O, and 40Ca using the auxiliary field diffusion Monte Carlo method in the fixed phase approximation and the Argonne v6' interaction which includes a tensor force. Comparison of our light…