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In the literature of magnetic phase transitions, in addition to a critical point, existence of another special point has been discussed. This is related to the broadening of interface between two different ordering phases and is referred to…
We report temperature-dependent surface x-ray scattering studies of the orbital ordered surface in La$_{0.5}$Sr$_{1.5}$MnO$_4$. We find that the interfacial width of the electronic order grows as the bulk ordering temperature is approached…
The glass transition of supercooled fluids is a particular challenge for computer simulation, because the (longest) relaxation times increase by about 15 decades upon approaching the transition temperature T_g. Brute-force molecular…
Non-Fermi liquids are an important topic in condensed matter physics, as their characteristics challenge the framework of traditional Fermi liquid theory and reveal the complex behavior of electrons in strongly interacting systems. Both the…
We present the numerical results for low temperature behavior of the transverse-field Ising model on a frustrated checkerboard lattice, with focus on the effect of both quantum and thermal fluctuations. Applying the recently-developed…
We study jammed near-crystalline materials composed of frictionless spheres in three dimensions. We analyze the fluctuations in positions and forces produced by small polydispersity in particle sizes. We generalize a recently developed…
Microscopic processes on surfaces such as adsorption, desorption, diffusion and reaction of interacting particles can be simulated using kinetic Monte Carlo (kMC) algorithms. Even though kMC methods are accurate, they are computationally…
We consider the large-time dynamics of one-dimensional processes involving adsorption and desorption of extended hard-core particles (dimers, trimers,\,$\cdots,k$-mers), while interacting through their constituent monomers. Desorption can…
The effects of dipolar interactions and molecular flexibility on the structure and phase behavior of bent-core molecular fluids are studied using Monte Carlo computer simulations. Some calculations of flexoelectric coefficients are also…
Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypical example, with decades of investigation having connected…
Successful computer studies of glass-forming materials need to overcome both the natural tendency to structural ordering and the dramatic increase of relaxation times at low temperatures. We present a comprehensive analysis of eleven…
The first off-lattice Monte Carlo kinetics model of interstellar dust-grain surface chemistry is presented. The positions of all surface particles are determined explicitly, according to the local potential minima resulting from the…
Dynamics of a polymer chain in solution gets significantly affected by the temperature and the frictional forces arising due to solvent viscosity. Here, using an explicit solvent framework for polymer simulation with the liberty to tune the…
Using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one…
We study the effect of thermal fluctuations in the XY-model on a surface with non vanishing mean curvature and zero Gaussian curvature. Unlike Gaussian curvature that typically frustrates orientational order, the extrinsic curvature of the…
The dynamic orientational order-disorder transition of clusters consisting of octahedral molecules is formulated in terms of symmetry-adapted rotator functions. The transition from a higher-temperature body-centered-cubic, orientationally…
Below the Curie temperature T_c of a Heusler-alloy film, consisting of densely packed, but exchange-decoupled nanograins, the spontaneous magnetization M_s(T) and static in-plane susceptibility \chi_{||}(T) increase very slowly signalizing…
An exhaustive numerical investigation of the growth of magnetic films in confined $(d+1)$-dimensional stripped geometries ($d=1,2$) is carried out by means of extensive Monte Carlo simulations. Thin films in contact with a thermal bath are…
Water ice's remarkable properties make it an important material across a range of disciplines. The combination of covalent and hydrogen bonds form a long-range lattice of oxygens, which hosts a disordered yet correlated hydrogen network. We…
We report on the results of molecular dynamics simulation (MD) studies of the classical two-dimensional electron crystal in the presence disorder. Our study is motivated by recent experiments on this system in modulation doped semiconductor…