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A number of crystal structures of water have been `superheated' in Monte Carlo simulations. Two well known models for water were considered; namely the TIP4P model and the SPC/E model. By comparing the fluid-solid coexistence temperature to…
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,…
Computational codes based on the Diffusion Monte Carlo method can be used to determine the quantum state of two-electron systems confined by external potentials of various nature and geometry. In this work, we show how the application of…
We have simulated the formation of an X-ray cluster in a cold dark matter universe using 12 different codes. The codes span the range of numerical techniques and implementations currently in use, including SPH and grid methods with fixed,…
We investigate the structure of 13-particle clusters in binary alloys for various size ratios and different concentrations via MD simulation. Our goal is to predict which systems are likely to form local icosahedral structures when rapidly…
Colloidal droplets are used in a variety of practical applications. Some of these applications require particles of different sizes. These include medical diagnostic methods, the creation of photonic crystals, the formation of…
We consider the problem of gelation in the cluster coagulation model introduced by Norris [\textit{Comm. Math. Phys.}, 209(2):407-435 (2000)], where pairs of clusters of types $(x,y)$ taking values in a measure space $E$, merge to form a…
We review efficient Monte Carlo methods for simulating quantum systems which couple to a dissipative environment. A brief introduction of the Caldeira-Leggett model and the Monte Carlo method will be followed by a detailed discussion of…
Aims: We discuss the dependence of shocks, cosmic rays acceleration and turbulence on the dynamical state of the host clusters. Method: We perform cosmological simulations with the grid code ENZO 1.5, with a mesh refinement scheme tailored…
We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…
We present simulation results addressing the dynamics of a colloidal system with attractive interactions close to gelation. Our interaction also has a soft, long range repulsive barrier which suppresses liquid-gas type phase separation at…
We present mode-coupling theory (MCT) results for densely packed hard-sphere fluids confined between two parallel walls and compare them quantitatively to computer simulations. The numerical solution of MCT is calculated for the first time…
We present the results of a percolation-like model that has been restricted compared to standard percolation models in the sense that we do not allow finite sized clusters to break up once they have formed. We calculate the critical…
We propose a number of Monte Carlo algorithms for the simulation of ice models and compare their efficiency. One of them, a cluster algorithm for the equivalent three colour model, appears to have a dynamic exponent close to zero, making it…
We argue that the recently reported Kolmogorov-like magnetic turbulence spectrum in the cool core of the Hydra A galaxy cluster can be understood by kinetic energy injection by active galaxies that drives a turbulent non-helical magnetic…
Dynamical behavior of the clusters during relaxation is studied in two-dimensional Potts model using cluster algorithm. Average cluster size and cluster formation velocity are calculated on two different lattice sizes for different number…
Ab initio Monte Carlo simulations have been performed to determine the equilibrium properties of liquid lithium and lithium clusters at different temperatures. First-principles density-functional methods were employed to calculate the…
Solutions of microgels have been widely used as model systems to gain insight into atomic condensed matter and complex fluids. We explore the thermodynamic phase behavior of hollow microgels, which are distinguished from conventional…
Monte Carlo simulations are widely employed to measure the physical properties of glass-forming liquids in thermal equilibrium. Combined with local Monte Carlo moves, the Metropolis algorithm can also be used to simulate the relaxation…
The two-dimensional two-orbital Hubbard model is studied with the use of finite-size cluster worldline quantum Monte Carlo algorithm. This model is widely used for simulation of the band structure of FeAs clusters, which are structure…