Glassy dynamics of rigid molecules is still a matter of controversy: the physics behind the
relaxation process at time scales faster than that ruled by the viscosity, the so called Johari …

Dielectric properties are evaluated by means of molecular dynamics simulations on two
model systems made up of dipolar molecules. One of them mimics methanol, whereas the …

We study the rotational dynamics of a supercooled molecular liquid by means of molecular
dynamics simulations. The system under investigation is composed of rigid diatomic …

A modified version of the original two-phase thermodynamic approach has been extended
to evaluate the thermodynamic properties of molecular systems. Its basic assumption states …

Thermodynamic properties for a system composed of dipolar molecules are computed. Free
energy is evaluated by means of the thermodynamic integration technique, and it is also …

Spatial heterogeneities have been investigated in a supercooled system composed of
diatomic molecules with an associated dipole moment by using the molecular dynamics …

In this work we study the heterogeneity of the dynamics on the low-temperature monoclinic
phases of the simple molecular glassy systems CBr n Cl 4− n, n= 0, 1, 2. In these systems …

L'objectiu fonamental d'aquesta tesi és l'estudi mitjançant dinàmica molecular del
comportament de líquids sobrerefredats. S'ha escollit líquids amb pont d'hidrogen …