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Computing occluding contours is a key building block of non-photorealistic rendering, but producing contours with consistent visibility has been notoriously challenging. This paper describes the first general-purpose smooth surface…
Earlier, normalization conditions for the columns of the PCM (Polarized Continuum Model) were determined and a method of enlarged surface meshes was developed. We developed similar methods for the COSMO (COnductor like Screening MOdel).…
The paper develops a method for the numerical simulation of a free-surface flow of incompressible viscous fluid around a streamlined body. The body is a rigid stationary construction partially submerged in the fluid. The application we are…
The velocity and trajectory of particle moving along the corrugated (rough) surface under action of gravity is obtained by meshless Boundary Singularity Method (BSM). This physical situation is found often in biological systems and…
Polyhedral surfaces are fundamental objects in architectural geometry and industrial design. Whereas closeness of a given mesh to a smooth reference surface and its suitability for numerical simulations were already studied extensively, the…
In this paper we introduce 1-$D$ and 2-$D$ discrete models for the dynamic granular matter formation process in the form of a system of difference equations. This approach allows us to differentiate between the influx of the rolling layer…
The low efficiency of Raman spectroscopy can be overcome by placing the active molecules in the vicinity of scatterers, typically rough surfaces or nanostructures with various shapes. This surface-enhanced Raman scattering (SERS) leads to…
The Sudden Approximation (SA) for scattering of atoms from surfaces is generalized to allow for double collision events and scattering from time-dependent quantum liquid surfaces. The resulting new schemes retain the simplicity of the…
The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…
Modeling folding surfaces with nonzero thickness is of practical interest for mechanical engineering. There are many existing approaches that account for material thickness in folding applications. We propose a new systematic and broadly…
The idea of a Potential Energy Surface (PES) forms the basis of almost all accounts of the mechanisms of chemical reactions, and much of theoretical molecular spectroscopy. It is assumed that, in principle, the PES can be calculated by…
We develop a fast-running smooth adaptive meshing (SAM) algorithm for dynamic curvilinear mesh generation, which is based on a fast solution strategy of the time-dependent Monge-Amp\`{e}re (MA) equation, $\det \nabla \psi(x,t) = \mathsf{G}…
Generating intelligent robot behavior in contact-rich settings is a research problem where zeroth-order methods currently prevail. A major contributor to the success of such methods is their robustness in the face of non-smooth and…
We study the task of smoothing a circuit, i.e., ensuring that all children of a plus-gate mention the same variables. Circuits serve as the building blocks of state-of-the-art inference algorithms on discrete probabilistic graphical models…
Applying Morse theory, we give a standard form for a class of surfaces which includes all the properly embedded incompressible surfaces in 3-dimensional handlebodies. We also give a necessary and sufficient condition to determine the…
In this work a finite element simulation of the motion of a rigid body in a fluid, with free surface, is described. A completely general referential description (of which both Lagrangian and Eulerian descriptions are special cases) of an…
In this two-part work, we propose an algorithmic framework for solving non-convex problems whose objective function is the sum of a number of smooth component functions plus a convex (possibly non-smooth) or/and smooth (possibly non-convex)…
Determining the aqueous solubility of molecules is a vital step in many pharmaceutical, environmental, and energy storage applications. Despite efforts made over decades, there are still challenges associated with developing a solubility…
In the self-consistent continuum solvation (SCCS) approach ($\textit{J. Chem. Phys.}$ 136, 064102 (2012)), the analytical expressions of the local solute-solvent interface functions determine the interface function and dielectric function…
The sensitivity of perturbation sensing can be effectively enhanced with higher-order exceptional points due to the nonlinear response to frequency splitting. However, the experimental implementation is challenging since all the parameters…