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Modeling the transport of deformable capsules under different flow regimens is crucial in a variety of fields, including oil rheology, blood flow and the dispersion of pollutants. The aim of this study is twofold. Firstly, a combined…
We introduce the Binless Multidimensional Thermodynamic Integration (BMTI) method for nonparametric, robust, and data-efficient density estimation. BMTI estimates the logarithm of the density by initially computing log-density differences…
The process of liquid silicon infiltration is investigated for channels with radii from $0.25$ to $0.75$ [mm] drilled in compact carbon preforms. The advantage of this setup is that the study of the phenomenon results to be simplified. For…
Based on self-consistent T-matrix approximation (SCTMA), the Mott insulator - Bose-glass phase transition of one-dimensional noninteracting bosons subject to binary disorder is considered. The results obtained differ essentially from the…
An advanced Volume of Fluid (VOF) method is presented that enables performant three-dimensional Direct Numerical Simulations (DNS) of the interaction of two immiscible fluids in a gaseous environment with large topology changes, e.g.,…
In a recent work [1] we presented results for the Bose-Fermi-Hubbard model (BFHM) in the limit of ultrafast fermions. The present work gives an overview over the used methods and an deeper insight into the implications arising from the…
The Immersed Boundary (IB) method is a mathematical framework for constructing robust numerical methods to study fluid-structure interaction in problems involving an elastic structure immersed in a viscous fluid. The IB formulation uses an…
There are many processes in cell biology that can be modeled in terms of particles diffusing in a two-dimensional (2D) or three-dimensional (3D) bounded domain $\Omega \subset \R^d$ containing a set of small subdomains or interior…
The surface Boundary Element Method (BEM) is one of the most commonly employed formulations to solve the forward problem in electroencephalography, but the applicability of its classical incarnations is lamentably limited to piece-wise…
Model merging (MM) recently emerged as an effective method for combining large deep learning models. However, it poses significant security risks. Recent research shows that it is highly susceptible to backdoor attacks, which introduce a…
We introduce a novel concept, the minimal molecular surface (MMS), as a new paradigm for the theoretical modeling of biomolecule-solvent interfaces. When a less polar macromolecule is immersed in a polar environment, the surface free energy…
We use the finite-size density-matrix-renormalization-group (FSDMRG) method to obtain the phase diagram of the one-dimensional ($d = 1$) extended Bose-Hubbard model for density $\rho = 1$ in the $U-V$ plane, where $U$ and $V$ are,…
Encounter-based models of diffusion provide a probabilistic framework for analyzing the effects of a partially absorbing reactive surface, in which the probability of absorption depends upon the amount of surface-particle contact time.…
Traditional approaches to mathematically describe spontaneous imbibition are usually based on either macro-scale models, such as Richards equation, or simplified pore-scale models, such as the bundle of capillary tubes (BCTM) or…
We apply gravity-based and density-based methods to identify clouds in numerical simulations of the star-forming, three-phase interstellar medium (ISM), and compare their properties and their global correlation with the star formation rate…
A homogenization approach is proposed for the treatment of porous wall boundary conditions in the computation of compressible viscous flows. Like any other homogenization approach, it eliminates the need for pore-resolved fluid meshes and…
A detailed comparison between the Boubl\'ik-Mansoori-Carnahan-Starling-Leland (BMCSL)equation of state of hard-sphere mixtures is made with Molecular Dynamics (MD) simulations of the same compositions. The Lab\'ik and Smith simulation…
We apply the immersed boundary (or IB) method to simulate deformation and detachment of a periodic array of wall-bounded biofilm colonies in response to a linear shear flow. The biofilm material is represented as a network of Hookean…
Current SMILES-based diffusion models for molecule generation typically support only unimodal constraint. They inject conditioning signals at the start of the training process and require retraining a new model from scratch whenever the…
The goal of this work is to develop a numerical simulation that accurately captures the biomechanical response of bacterial biofilms and their associated extracellular matrix (ECM). In this, the second of a two-part effort, the primary…