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In this paper, the Immersed Boundary Method (IBM) proposed by Pinelli is implemented for finite volume approximations of incompressible Navier-Stokes equations solutions in the open source toolbox OpenFOAM version 2.2. Solid obstacles are…
Efficient simulation of nonlinear and dispersive free-surface flows governed by the incompressible Navier-Stokes equations remains a central challenge in ocean and coastal engineering. The computational bottleneck arises from solving a…
The transport and manipulation of particles and cells in microfluidic devices has become a core methodology in domains ranging from molecular biology to manufacturing and drug design. The rational design and operation of such devices can…
This study presents an advanced sharp-interface immersed boundary method (IBM) integrated with the blastFOAM library on the OpenFOAM platform for high-speed compressible flow simulations. The developed solver extends the existing IBM…
We present finite-element numerical algorithms for the identification of vortices in quantum fluids described by a macroscopic complex wave function. Their implementation using the free software FreeFem++ is distributed with this paper as a…
The steady, asymmetric and two-dimensional flow of viscous, incompressible micropolar fluid through a rectangular channel with a splitter (parallel to walls) was formulated and simulated numerically. The plane Poiseuille flow was considered…
This paper outlines a numerical algorithm that could be used for simulating full 3D dynamics of magnetic fluid droplet shapes in external magnetic fields, by solving boundary integral equations. The algorithm works with arbitrary droplet…
Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…
A stable added-mass partitioned (AMP) algorithm is developed for fluid-structure interaction (FSI) problems involving viscous incompressible flow and compressible elastic solids. Deforming composite grids are used to effectively handle the…
This work presents a detailed empirical analysis of Bayesian optimisation with information sharing (BOIS) for the variational quantum eigensolver (VQE). The method is applied to computing the potential energy surfaces (PES) of the hydrogen…
Our objective is to stabilise and accelerate the time-domain boundary element method (TDBEM) for the three-dimensional wave equation. To overcome the potential time instability, we considered using the Burton--Miller-type boundary integral…
This work presents an unfitted boundary algebraic equation (BAE) method for solving three-dimensional elliptic partial differential equations on complex geometries using finite difference on structured meshes. We demonstrate that replacing…
We put forward a new type of spectral method for the direct numerical simulation of flows where anisotropy or very fine boundary layers are present. The mean idea is to take advantage of the fact that such structures are dissipative and…
Cilia and flagella are self-actuated microtubule-based structures that are present on many cell surfaces, ranging from the outer surface of single-cell organisms to the internal epithelial surfaces in larger animals. A fast and robust…
This paper presents a novel volume of fluid ghost-cell immersed boundary (IB) method for two-phase free surface flow interacting with structures. To circumvent the disturbance occurring around the intersection area of the IB and free…
We present an unfitted boundary algebraic equation (BAE) method for solving elliptic partial differential equations in complex geometries. The method employs lattice Green's functions on infinite regular grids combined with discrete…
This paper presents a general and robust method for the fluid-structure interaction of membranes and shells undergoing large displacement and large added-mass effects by coupling an immersed-boundary method with a shell finite-element…
Molecular dynamics (MD) simulations of complex electrochemical systems, such as ionic liquid supercapacitors, are increasingly including the constant potential method (CPM) to model conductive electrodes at specified potential difference,…
In this investigation we revisit the concept of "effective free surfaces" arising in the solution of the time-averaged fluid dynamics equations in the presence of free boundaries. This work is motivated by applications of the optimization…
Simulating physical problems involving multi-time scale coupling is challenging due to the need of solving these multi-time scale processes simultaneously. In response to this challenge, this paper proposed an explicit multi-time step…