Related papers: Molecular dynamics study of a classical two-dimens…
Molecular dynamics simulations (mds) were carried out to investigate the reorientational motion of a rigid (fixed bond length), asymmetric diatomic molecule in the liquid and glassy states. In the latter the molecule reorients via…
Molecular dynamics (MD) simulations are used to calculate transport coefficients in a two-component plasma interacting through a repulsive Coulomb potential. The thermal conductivity, electrical conductivity, electrothermal coefficient,…
The static friction between crystalline surfaces separated by a molecularly thin layer of adsorbed molecules is calculated using molecular dynamics simulations. These molecules naturally lead to a finite static friction that is consistent…
We investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system…
Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…
We combine numerical and analytical methods to study two dimensional active crystals formed by permanently linked swimmers and with two distinct alignment interactions. The system admits a stationary phase with quasi long range…
The interplay between electrostatic interactions and orientational correlations is studied for a model system of charged rods positioned on a chain, using Monte Carlo simulation techniques. It is shown that the coupling brings about the…
We present a molecular dynamics study of the liquid and plastic crystalline phases of CCl$_3$Br. We investigated the short-range orientational order using a recently developed classification method and we found that both phases behave in a…
We report an experimental and theoretical study of the dynamics of cold atoms subjected to closely-spaced pairs of pulses in an optical lattice. The experiments show the interplay between fully coherent quantum dynamics and a novel…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…
Quantum polarization is investigated by means of a trajectory picture based on the Bohmian formulation of quantum mechanics. Relevant examples of classical-like two-mode field states are thus examined, namely Glauber and SU(2) coherent…
Classical dynamics of two-electron atom and ions H$^{-}$, He, Li$^{+}$, Be$^{2+}$,... in collinear eZe configuration is investigated. It is revealed that the mass ratio $\xi$ between necleus and electron plays an important role for…
Investigations of the phase transitions and self-organization in the magnetic aggregates are of the fundamental and applied interest. The long-range ordering structures described in the Tom\'anek's systematization (M. Yoon, and D.…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid…
The dynamics of a molecule immersed in a superfluid medium are considered. Results are derived using a classical hydrodynamic approach followed by canonical quantization. The classical model, a rigid body immersed in incompressible fluid,…
We study nonlinear transport through a classical ballistic system accounting for the Coulomb interaction between electrons. The joint effect of the applied bias $V$ and magnetic field $H$ on the electron trajectories results in a component…
We present a complete analysis of the linearised dynamics of active solids with orientational order, taking into account a hitherto overlooked consequence of rotation invariance. Our predictions include the possibility of stable active…
Dynamical heterogeneities in a colloidal fluid close to gelation are studied by means of computer simulations. A clear distinction between some fast particles and the rest, slow ones, is observed, yielding a picture of the gel composed by…
The hexatic phase predicted by the theories of two-dimensional melting is characterised by the power law decay of the orientational correlations whereas the in-layer bond orientational order in all the hexatic smectic phases observed so far…
A one-dimensional long-range model of classical rotators with an extended degree of complexity, as compared to paradigmatic long-range systems, is introduced and studied. Working at constant density, in the thermodynamic limit one can prove…