Related papers: Application of the level-set method to the implici…
This paper discusses a relation between the re-initialization equation of the level-set functions derived by Wac{\l}awczyk [J.Comp.Phys., 299, (2015)] and the condition for the phase equilibrium provided by the stationary solution to the…
Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
We propose a level set method to reconstruct unknown surfaces from point clouds, without assuming that the connections between points are known. We consider a variational formulation with a curvature constraint that minimizes the surface…
The linear transport equation allows to advect level-set functions to represent moving sharp interfaces in multiphase flows as zero level-sets. A recent development in computational fluid dynamics is to modify the linear transport equation…
We propose a method to modify a polygonal mesh in order to fit the zero-isoline of a level set function by extending a standard body-fitted strategy to a tessellation with arbitrarily-shaped elements. The novel level set-fitted approach, in…
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in computational condensed-matter and materials simulations. A key…
As one of the most popular interface-capturing methods, the level-set method is inherently non-conservative, and its evolution usually leads to unphysical mass gain/loss. In this paper, a novel conservative level set method is developed for…
We propose a level-set-based semi-Lagrangian method on graded adaptive Cartesian grids to address the problem of surface reconstruction from point clouds. The goal is to obtain an implicit, high-quality representation of real shapes that…
We compute time-dependent solutions of the sharp-interface model of dendritic solidification in two dimensions by using a level set method. The steady-state results are in agreement with solvability theory. Solutions obtained from the level…
In the past decade, variational implicit solvation models (VISM) have achieved great success in solvation energy predictions. However, all existing VISMs in literature lack the uniqueness of an energy minimizing solute-solvent interface and…
Convex optimization problems arising in applications often have favorable objective functions and complicated constraints, thereby precluding first-order methods from being immediately applicable. We describe an approach that exchanges the…
Finite element simulations of frictional multi-body contact problems via conformal meshes can be challenging and computationally demanding. To render geometrical features, unstructured meshes must be used and this unavoidably increases the…
Level-set methods for convex optimization are predicated on the idea that certain problems can be parameterized so that their solutions can be recovered as the limiting process of a root-finding procedure. This idea emerges time and again…
We developed a sharp interface level-set approach for two-phase immiscible flow with moving contact lines. The Cox-Voinov model is used to describe the moving contact line. A piecewise linear interface method is used to construct the signed…
In this paper, we introduce a novel way to represent the interface for two-phase flows with phase change. We combine a level-set method with a Cartesian embedded boundary method and take advantage of both. This is part of an effort to…
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…
The classical level set method, which represents the boundary of the unknown geometry as the zero-level set of a function, has been shown to be very effective in solving shape optimization problems. The present work addresses the issue of…
This review describes the theory and implementation of implicit solvation models based on continuum electrostatics. Within quantum chemistry this formalism is sometimes synonymous with the polarizable continuum model, a particular…
Here a semi-implicit formulation of the gradient augmented level set method is presented. By tracking both the level set and it's gradient accurate subgrid information is provided,leading to highly accurate descriptions of a moving…
Many interfacial phenomena in physical and biological systems are dominated by high order geometric quantities such as curvature. Here a semi-implicit method is combined with a level set jet scheme to handle stiff nonlinear advection…