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Numerical simulation of multiphase compositional flow in fractured porous media, when all the species can transfer between the phases, is a real challenge. Despite the broad applications in hydrocarbon reservoir engineering and hydrology, a…
We present a novel staggered semi-implicit hybrid FV/FE method for the numerical solution of the shallow water equations at all Froude numbers on unstructured meshes. A semi-discretization in time of the conservative Saint-Venant equations…
A new computational method is presented for study suspensions of charged soft particles undergoing fluctuating hydrodynamic and electrostatic interactions. The proposed model is appropriate for polymers, proteins and porous particles…
The aim of the present work is to develop a model able to represent the propagation and transformation of waves in nearshore areas. The focus is on the phenomena of wave breaking, shoaling and run-up. These different phenomena are…
In this work, we derive particle schemes, based on micro-macro decomposition, for linear kinetic equations in the diffusion limit. Due to the particle approximation of the micro part, a splitting between the transport and the collision part…
This paper describes a class of scheme named "residual distribution schemes" or "fluctuation splitting schemes". They are a generalization of Roe's numerical flux in fluctuation form. The so-called multidimensional fluctuation schemes have…
Event-by-event fluctuations of global observables in relativistic heavy-ion collisions are studied as probes for the QCD phase transition and as tools to search for critical phenomena near the phase boundary. Dynamical fluctuations in mean…
A new hybrid approach to air shower simulations is described. At highest energies, each particle is followed individually using the traditional Monte Carlo method; this initializes a system of cascade equations which are applicable for…
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
Ensemble calculations are essential for systems with uncertain data but require substantial increase in computational resources. This increase severely limits ensemble size. To reach beyond current limits, we present a first-order…
In this paper, we propose an adaptive high-order method for hyperbolic systems of conservation laws. The proposed method is based on a dual formulation approach: Two numerical solutions, corresponding to conservative and nonconservative…
We discuss a method by which quantum fluctuations can be included in microscopic transport models based on wave packets that are not energy eigenstates. By including the next-to-leading order term in the cumulant expansion of the…
We present a numerical discretisation of the coupled moment systems, previously introduced in Dahm and Helzel, which approximate the kinetic multi-scale model by Helzel and Tzavaras for sedimentation in suspensions of rod-like particles for…
Fluid-Structure Interaction (FSI) is a crucial problem in ocean engineering. The smoothed particle hydrodynamics (SPH) method has been employed recently for FSI problems in light of its Lagrangian nature and its advantage in handling…
We study diffusion in systems of classical particles whose dynamics conserves the total center of mass. This conservation law leads to several interesting consequences. In finite systems, it allows for equilibrium distributions that are…
We present a method aimed at sampling charge density fluctuations in Coulomb systems. The derivation follows from a functional integral representation of the partition function in terms of charge density fluctuations. Starting from the…
This study established a quantum-classical hybrid framework that integrates quantum computing paradigm with meshfree finite particle method. By harnessing quantum superposition and entanglement, it hybridized the critical computational…
The Phase-Field Method (PFM) is employed to simulate two-phase flows with the fully-coupled Cahn-Hilliard-Navier-Stokes (CHNS) equations governing the temporal evolution. The methodology minimizes the total energy functional, accounting for…
The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems. Despite its universality, a more exact determination of…
We present and explore a new shock-capturing particle hydrodynamics approach. Our starting point is a commonly used discretization of smoothed particle hydrodynamics. We enhance this discretization with Roe's approximate Riemann solver, we…