Related papers: Fluid Coexistence close to Criticality: Scaling Al…
Clathrate hydrates are vital in energy research and environmental applications. Understanding their stability is crucial for harnessing their potential. In this work, we employ direct coexistence simulations to study finite-size effects in…
We consider a model fluid with long-ranged, dispersion interparticle potentials confined between competing parallel walls. One wall is solvophilic and would be completely wet at bulk liquid-gas coexistence while the other is solvophobic and…
We explore the relationship between a machine-learned structural quantity (softness) and excess entropy in simulations of supercooled liquids. Excess entropy is known to scale well the dynamical properties of liquids, but this…
Achieving a coherent understanding of the many thermodynamic and dynamic anomalies of water is among the most important unsolved puzzles in physics, chemistry, and biology. One hypothesized explanation imagines the existence of a line of…
We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the development of Monte Carlo algorithms to accelerate equilibration…
We present numerical calculations of a four-point dynamic susceptibility, chi_4(t), for the Kob-Andersen Lennard-Jones mixture as a function of temperature T and density rho. Over a relevant range of T and rho, the full t-dependence of…
The main objective of this work is to develop a unified framework that can be used as a lens to quantitatively assess and augment a wide range of coarse-grained models of turbulence, viz. large eddy simulations (LES), hybrid…
Demand for high-performance, robust, and safe autonomous systems has grown substantially in recent years. These objectives motivate the desire for efficient safety-theoretic reasoning that can be embedded in core decision-making tasks such…
Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical…
For quantum computing (QC) to emerge as a practically indispensable computational tool, there is a need for quantum protocols with an end-to-end practical applications -- in this instance, fluid dynamics. We debut here a high performance…
We study the consistency and convergence of smoothed particle hydrodynamics (SPH), as a function of the interpolation parameters, namely the number of particles $N$, the number of neighbors $n$, and the smoothing length $h$, using…
Fluctuations of dynamical quantities are fundamental and inevitable. For the booming research in nanotechnology, huge relative fluctuation comes with the reduction of system size, leading to large uncertainty for the estimates of dynamical…
We analyze and compare the computational complexity of different simulation strategies for Monte Carlo in the setting of classically scaled population processes. This allows a range of widely used competing strategies to be judged…
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 present results on a meso-scale model for amorphous matter in athermal, quasi-static (a-AQS), steady state shear flow. In particular, we perform a careful analysis of the scaling with the lateral system size, $L$, of: i) statistics of…
We use a density-functional theoretical approach to set up a computationally simple self-consistent scheme to calculate the pair distribution functions and the effective interactions in quantum Coulomb liquids. We demonstrate the accuracy…
We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…
Recently the scaling result $z=d$ for the dynamic critical exponent at the Bose glass to superfluid quantum phase transition has been questioned both on theoretical and numerical grounds. This motivates a careful evaluation of the critical…
From a recently found family of analytic, finite and accelerating 1+1-dimensional solutions to perfect fluid relativistic hydrodynamics, we derive simple and powerful formulae to describe the rapidity and pseudorapidity density…
We prove the existence of a solution to an equation governing the number density within a compact domain of a discrete particle system for a prescribed class of particle interactions taking into account the effects of the diffusion and…