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Creators/Authors contains: "Quaini, Annalisa"

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  1. Reduced-order models (ROMs) have achieved a lot of success in reducing the computational cost of traditional numerical methods across many disciplines. In fluid dynamics, ROMs have been successful in providing efficient and relatively accurate solutions for the numerical simulation of laminar flows. For convection-dominated (e.g., turbulent) flows, however, standard ROMs generally yield inaccurate results, usually affected by spurious oscillations. Thus, ROMs are usually equipped with numerical stabilization or closure models in order to account for the effect of the discarded modes. The literature on ROM closures and stabilizations is large and growing fast. In this paper, instead of reviewing all the ROM closures and stabilizations, we took a more modest step and focused on one particular type of ROM closure and stabilization that is inspired by large eddy simulation (LES), a classical strategy in computational fluid dynamics (CFD). These ROMs, which we call LES-ROMs, are extremely easy to implement, very efficient, and accurate. Indeed, LES-ROMs are modular and generally require minimal modifications to standard (“legacy”) ROM formulations. Furthermore, the computational overhead of these modifications is minimal. Finally, carefully tuned LES-ROMs can accurately capture the average physical quantities of interest in challenging convection-dominated flows in science and engineering applications. LES-ROMs are constructed by leveraging spatial filtering, which is the same principle used to build classical LES models. This ensures a modeling consistency between LES-ROMs and the approaches that generated the data used to train them. It also “bridges” two distinct research fields (LES and ROMs) that have been disconnected until now. This paper is a review of LES-ROMs, with a particular focus on the LES concepts and models that enable the construction of LES-inspired ROMs and the bridging of LES and reduced-order modeling. This paper starts with a description of a versatile LES strategy called evolve–filter–relax (EFR) that has been successfully used as a full-order method for both incompressible and compressible convection-dominated flows. We present evidence of this success. We then show how the EFR strategy, and spatial filtering in general, can be leveraged to construct LES-ROMs (e.g., EFR-ROM). Several applications of LES-ROMs to the numerical simulation of incompressible and compressible convection-dominated flows are presented. Finally, we draw conclusions and outline several research directions and open questions in LES-ROM development. While we do not claim this review to be comprehensive, we certainly hope it serves as a brief and friendly introduction to this exciting research area, which we believe has a lot of potential in the practical numerical simulation of convection-dominated flows in science, engineering, and medicine. 
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    Free, publicly-accessible full text available August 1, 2025
  2. This paper studies the fusogenicity of cationic liposomes in relation to their surface distribution of cationic lipids and utilizes membrane phase separation to control this surface distribution. It is found that concentrating the cationic lipids into small surface patches on liposomes, through phase-separation, can enhance liposome’s fusogenicity. Further concentrating these lipids into smaller patches on the surface of liposomes led to an increased level of fusogenicity. These experimental findings are supported by numerical simulations using a mathematical model for phase-separated charged liposomes. Findings of this study may be used for design and development of highly fusogenic liposomes with minimal level of toxicity. 
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  3. Within OpenFOAM, we develop a pressure-based solver for the Euler equations written in conservative form using density, momentum, and total energy as variables. Under simplifying assumptions, these equations are used to describe non-hydrostatic atmospheric flow. For the stabilization of the Euler equations and to capture sub-grid processes, we consider two Large Eddy Simulation models: the classical Smagorinsky model and the one equation eddy-viscosity model. To achieve high computational efficiency, our solver uses a splitting scheme that decouples the computation of each variable. The numerical results obtained with our solver are validated against numerical data available in the literature for two classical benchmarks: the rising thermal bubble and the density current. Through qualitative and quantitative comparisons, we show that our approach is accurate. This paper is meant to lay the foundation for a new open-source package specifically created for the quick assessment of new computational approaches for the simulation of atmospheric flows at the mesoscale level. 
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  4. Abstract This work introduces a novel approach for data-driven model reduction of time-dependent parametric partial differential equations. Using a multi-step procedure consisting of proper orthogonal decomposition, dynamic mode decomposition, and manifold interpolation, the proposed approach allows to accurately recover field solutions from a few large-scale simulations. Numerical experiments for the Rayleigh-Bénard cavity problem show the effectiveness of such multi-step procedure in two parametric regimes, i.e., medium and high Grashof number. The latter regime is particularly challenging as it nears the onset of turbulent and chaotic behavior. A major advantage of the proposed method in the context of time-periodic solutions is the ability to recover frequencies that are not present in the sampled data. 
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