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This paper develops the high-order accurate entropy stable finite difference schemes for one- and two-dimensional special relativistic hydrodynamic equations. The schemes are built on the entropy conservative flux and the weighted…
Comparison of hydrodynamic and "hybrid" hydrodynamics+transport calculations to heavy-ion data inevitably requires the conversion of the fluid to particles. For dissipative fluids the conversion is ambiguous without additional theory input…
Force-matched water models provide a practical route from first-principles reference data to long classical and path-integral molecular simulations. Previous flexible four-site potentials in the spirit of q-TIP4P/F showed that fitting…
The scaling of the slow structural relaxation with the fast caged dynamics is evidenced in the molten salt Ca_{0.4}K_{0.6}(NO_{3}$)_{1.4} (CKN) over about thirteen decades of the structural relaxation time. Glycerol caling was analyzed in…
It has been shown recently that predictions from Mode-Coupling Theory for the glass transition of hard-spheres become increasingly bad when dimensionality increases, whereas replica theory predicts a correct scaling. Nevertheless if one…
In various astrophysics settings it is common to have a two-fluid relativistic plasma that interacts with the electromagnetic field. While it is common to ignore the displacement current in the ideal, classical magnetohydrodynamic limit,…
We consider the performance of combined PNO-F12 approaches for the dissociation energy of water clusters as large as (H2O)20 by comparison to canonical CCSD(T)/CBS reference values obtained through n-body decomposition of post-MP2…
In [1] is proposed a simplified DeC method, that, when combined with the residual distribution (RD) framework, allows to construct a high order, explicit FE scheme with continuous approximation avoiding the inversion of the mass matrix for…
We develop a new finite volume method using unstructured mesh-vertex grids for coupled systems modeling shallow water flows and solute transport over complex bottom topography. Novel well-balanced positivity preserving discretization…
In this review, we describe and analyze a mesoscale simulation method for fluid flow, which was introduced by Malevanets and Kapral in 1999, and is now called multi-particle collision dynamics (MPC) or stochastic rotation dynamics (SRD).…
In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HS). The idea behind the proposal is expanding volume instead of…
For conventional smoothed particle hydrodynamics (SPH), obtaining the static solution of a problem is time-consuming. To address this drawback, we propose an efficient dynamic relaxation method by adding large artificial-viscosity-based…
Hydrodynamic behavior is a general feature of interacting systems with many degrees of freedom constrained by conservation laws. To date hydrodynamic scaling in relativistic quantum systems has been observed in many high energy settings,…
The spectroscopy and structural dynamics of a deep eutectic mixture (KSCN/acetamide) with varying water content is investigated from 2D IR (with the C-N stretch vibration of the SCN$^-$ anions as the reporter) and THz spectroscopy.…
Recent results from compressive sampling (CS) have demonstrated that accurate reconstruction of sparse signals often requires far fewer samples than suggested by the classical Nyquist--Shannon sampling theorem. Typically, signal…
This paper proposes a scalable channel estimation and reflection optimization framework for reconfigurable intelligent surface (RIS)-enhanced orthogonal frequency division multiplexing (OFDM) systems. Specifically, the proposed scheme…
The solvation model proposed by Fattebert and Gygi [Journal of Computational Chemistry 23, 662 (2002)] and Scherlis et al. [Journal of Chemical Physics 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations…
We design and analyse a semi-implicit finite volume scheme for the two-dimensional rotating shallow water (RSW) equations that is energy stable, well-balanced (capable of preserving discrete geostrophic steady states), consistent, and…
A new consistent, spatially adaptive, smoothed particle hydrodynamics (SPH) method for Fluid-Structure Interactions (FSI) is presented. The method combines several attributes that have not been simultaneously satisfied by other SPH methods.…
Generating energy functions for heterogeneous systems suitable for quantitative and predictive atomistic simulations is a challenging undertaking. The present work combines a cluster-based approach with electronic structure calculations at…