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In this article we introduce a procedure, which allows to recover the potentially very good approximation properties of tensor-based model reduction procedures for the solution of partial differential equations in the presence of interfaces…
The presence of solvent tunes many properties of a molecule, such as its ground and excited state geometry, dipole moment, excitation energy, and absorption spectrum. Because the energy of the system will vary depending on the solvent…
We consider a model for the evolution of an interface in a heterogeneous environment governed by a parabolic equation. The heterogeneity is introduced as obstacles exerting a localized dry friction. Our main result establishes the emergence…
The paper presents a constraint-based collision model for Cosserat rods, able to handle dynamic or static contact between a large number of highly flexible structures. The model provides the required collision impulses prior to updating the…
We prove existence of weak solutions for a diffuse interface model for the flow of two viscous incompressible Newtonian fluids with different densities in a bounded domain in two and three space dimensions. In contrast to previous works, we…
The solution of the elliptic partial differential equation has interface singularity at the points which are either the intersections of interfaces or the intersections of interfaces with the boundary of the domain. The singularities that…
The interfacial diffusion associated with finite volume method (FVM) discretizations of multiphase flows creates the need for an interface sharpening mechanism. Such solutions for structured quadrilateral grids are well documented, but…
An analysis of the dynamics is performed, of exactly solvable models for fragile and strong glasses, exploiting the partitioning of the free energy landscape in inherent structures. The results are compared with the exact solution of the…
We present a new diffuse interface model for the dynamics of inextensible vesicles in a viscous fluid. A new feature of this work is the implementation of the local inextensibility condition in the diffuse interface context. Local…
We briefly review the effects of selective solvation of ions in aqueous mixtures, where the ion densities and the composition fluctuations are strongly coupled. We then examine the surface tension \gamma of a liquid-liquid interface in the…
Structural equation models (SEMs) are commonly used to study the structural relationship between observed variables and latent constructs. Recently, Bayesian fitting procedures for SEMs have received more attention thanks to their potential…
We prove existence of weak solutions for a diffuse interface model for the flow of two viscous incompressible Newtonian fluids in a bounded domain in two and three space dimensions. In contrast to previous works, we study a new model…
Recently, machine learning has been used to substitute parts of conventional computational fluid dynamics, e.g. the cell-face reconstruction in finite-volume solvers or the curvature computation in the Volume-of-Fluid (VOF) method. The…
In this paper, the authors study the limit of a sharp interface model for the solvation of charged molecules in an implicit solvent as the number of solute molecules and the size of the surrounding box tend to infinity. The energy is given…
Energy-based models (EBMs) are powerful probabilistic models, but suffer from intractable sampling and density evaluation due to the partition function. As a result, inference in EBMs relies on approximate sampling algorithms, leading to a…
We propose the Compact Coupling Interface Method (CCIM), a finite difference method capable of obtaining second-order accurate approximations of not only solution values but their gradients, for elliptic complex interface problems with…
This work demonstrates a computational framework for simulating vaporizing, liquid-gas flows. It is developed for the general vaporization problem which solves the vaporization rate based as from the local thermodynamic equilibrium of the…
In this paper we establish existence, uniqueness, and boundedness results for an elliptic variational inequality coupled with a nonlinear ordinary differential equation. Under the general framework, we present a new application modelling…
A long-standing goal of materials science is to understand, predict and control the evolution of microstructures in crystalline materials. Most microstructure evolution is controlled by interface motion; hence, the establishment of rigorous…
High-dimensional recordings of dynamical processes are often characterized by a much smaller set of effective variables, evolving on low-dimensional manifolds. Identifying these latent dynamics requires solving two intertwined problems:…