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In this brief review I will discuss criticality in strongly correlated fluids. Unlike simple fluids, molecules of which interact through short ranged isotropic potential, particles of strongly correlated fluids usually interact through long…
Chemical reaction sampling critically depends on collective variables (CVs) that capture the slow degrees of freedom governing reactive transformations. However, existing reaction CVs are often defined in geometric space or learned in a…
Electron dispersion forces play a crucial role in determining the structure and properties of biomolecules, molecular crystals and many other systems. However, an accurate description of dispersion is highly challenging, with the most…
In the framework of the computational determination of highly-accurate vertical excitation energies in small organic compounds, we explore the possibilities offered by the equation-of-motion formalism relying on the approximate fourth-order…
The probability distribution of the conductance Pc(g) at the Anderson critical point is calculated. It is find that Pc(g) has a dip at small g in agreement with epsilon expansion results. The Pc(g) for the 3d system is quite different from…
We study the pair contact process with diffusion (PCPD) using Monte Carlo simulations, and concentrate on the decay of the particle density $\rho$ with time, near its critical point, which is assumed to follow $\rho(t) \approx ct^{-\delta}…
In this paper, we discuss a method to find the most influential power system parameters to the probabilistic transient stability assessment problem---finding the probability distribution of the critical clearing time. We perform the…
We prove a law of large numbers and a central limit theorem for a tagged particle in a symmetric simple exclusion process in the one-dimensional lattice with variable diffusion coefficient. The scaling limits are obtained from a similar…
Thermally induced particle flow in a charged colloidal suspension is studied in a fluid-mechanical approach. The force density acting on the charged boundary layer is derived in detail. From Stokes' equation with no-slip boundary conditions…
Event shape analysis has been used to look for DCC signals in simulated ultra-relativistic heavy-ion collision data at SPS energy. A simple redistribution of particles, with two detectors to detect charged particles and photons, is seen to…
We performed a thorough investigation of the drying dynamics of a charged colloidal dispersion drop in a confined geometry. We developed an original methodology based on Raman micro-spectroscopy to measure spatially-resolved colloids…
We describe a criterion for particles suspended in a randomly moving fluid to aggregate. Aggregation occurs when the expectation value of a random variable is negative. This random variable evolves under a stochastic differential equation.…
A recently developed approach, conditional probability density functional theory (CP-DFT), yields direct access to the exchange-correlation hole of a system, an important correlation function that is not available from any standard DFT…
We investigate the aggregation kinetics of sedimenting particles theoretically and numerically, using the advection-diffusion equation. Agglomeration, caused by both transport mechanisms (diffusion and advection), is important for small…
In this work, we have computed electrical conductivities at ambient conditions of aqueous NaCl and KCl solutions by using the Einstein-Helfand equation. Common force fields (charge q = 1 e) do not reproduce the experimental values of…
We apply principal component analysis, a method frequently used in image processing and unsupervised machine learning, to characterize particle displacements observed in the steady shear flow of amorphous solids. PCA produces a…
Using field theoretic renormalization group methods we study the critical behavior of a driven diffusive system near a boundary perpendicular to the driving force. The boundary acts as a particle reservoir which is necessary to maintain the…
The dynamics of particle transport under the influence of localised high energy anomalies (explosions) is a complicated phenomena dependent on many physical parameters of both the particle and the medium it resides in. Here we present a…
A systematic study of the leading isotropic van der Waals coefficients for the alkali-metal atom + molecule and molecule + molecule systems is presented. Dipole moments and static and dynamic dipole polarizabilities are calculated employing…
Clustering has become an indispensable tool in the presence of increasingly large and complex data sets. Most clustering algorithms depend, either explicitly or implicitly, on the sampled density. However, estimated densities are fragile…