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The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
We unravel the existence and nonequilibrium response of one-dimensional harmonically trapped droplet configurations in the presence of a central potential barrier or well. For fixed negative chemical potentials, it is shown that droplets…
We show that the existence of the water-like anomalies in kinetic coefficients in the core-softened systems depends on the trajectory in $\rho-T$ plane along which the kinetic coefficients are calculated. In particular, it is shown that the…
In colloidal suspensions, the competition between attractive and repulsive interactions gives rise to a rich and complex phenomenology. Here, we study the equilibrium phase diagram of a model system using a DLVO interaction potential by…
Triangular lattice models for pattern formation by hard-core soft-shell particles at interfaces are introduced and studied in order to determine the effect of the shell thickness and structure. In model I, we consider particles with…
Stretched polymers with attractive interaction are studied in two and three dimensions. They are described by biased self-avoiding random walks with nearest neighbour attraction. The bias corresponds to opposite forces applied to the first…
Confinement can modify the dynamics, the thermodynamics and the structural properties of liquid water, the prototypical anomalous liquid. By considering a general anomalous liquid, suitable for globular proteins, colloids or liquid metals,…
A limited number of 2D and 3D materials under a constant pressure contract in volume upon heating isobarically; this anomalous phenomenon is known as the negative thermal expansion (NTE). In this paper, the NTE anomaly is observed in 1D…
(shortened) We perform 3D hydrodynamic simulations of gas flowing around a planetary core of mass \mplan=10\me embedded in a near Keplerian background flow, using a modified shearing box approximation. We employ a nested grid hydrodynamic…
Coronal holes and active regions are typical magnetic structures found in the solar atmosphere. We propose several magnetohydrostatic equilibrium solutions that are representative of these structures in two dimensions. Our models include…
We present results predicting experimentally measurable structural quantities from molecular dynamics studies of hydrogen. In doing this, we propose a paradigm shift for experimentalists -- that the predictions from such calculations should…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
Turbulent Rayleigh-B\'enard convection displays a large-scale order in the form of rolls and cells on lengths larger than the layer height once the fluctuations of temperature and velocity are removed. These turbulent superstructures are…
The diffusivity of tagged particles is demonstrated to be heterogeneous on time scales comparable to or less than the structural relaxation time %taking place at the interparticle distance in a highly supercooled liquid via 3D molecular…
Modeling the structure of molecular clouds depends on good methods to statistically compare simulations with observations in order to constrain the models. Here we characterize a suite of hydrodynamical and magnetohydrodynamical (MHD)…
We consider evolution of one-dimensional nonlinear-Schr\"odinger (NLS) two-soliton complexes (breathers) with narrow repulsive or attractive potentials (barrier or well, respectively). By means of systematic simulations, we demonstrate that…
Soft spheres interacting via a hard core and range of attractive and repulsive "soft-shoulder" potentials self-assemble into clusters forming a variety of mesophases. We combine a mean field theory developed from a lattice model with a…
The dissipation of energy from sound waves and weak shocks is one of the most promising mechanisms for coupling AGN activity to the surrounding intracluster medium (ICM), and so offsetting cooling in cluster cores. We present a detailed…
We present a simple and highly adaptable method for simulating coarse-grained lipid membranes without explicit solvent. Lipids are represented by one head-bead and two tail-beads, with the interaction between tails being of key importance…
Numerically optimized reduced descriptions of macromolecular liquids often present thermodynamic inconsistency with atomistic level descriptions even if the total correlation function, i.e. the structure, appears to be in agreement. An…