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This work studies shape filtering techniques, namely the convolution-based (explicit) and the PDE-based (implicit), and introduces an implicit bulk-surface filtering method to control the boundary smoothness and preserve the internal mesh…
Plastic deformation of most crystalline materials is due to the motion of lattice dislocations. Therefore, the simulation of the interaction and dynamics of these defects has become state-of-the-art method to study work hardening, size…
We present an algorithm for the numerical solution of the equations governing combustion in porous inert media. The discretization of the flow problem is performed by the mixed finite element method, the transport problems are discretized…
The splitting method is a powerful method for solving partial differential equations. Various splitting methods have been designed to separate different physics, nonlinearities, and so on. Recently, a new splitting approach has been…
This paper explores preconditioning the normal equation for non-symmetric square linear systems arising from PDE discretization, focusing on methods like CGNE and LSQR. The concept of ``normal'' preconditioning is introduced and a strategy…
In this paper, the use of partitioned linear multistep methods (PLMM) as time integrators for the numerical approximation of some partial differential equations (pdes) is studied. We consider the periodic initial-value problem of two…
Implicitly described domains are a well established tool in the simulation of time dependent problems, e.g. using level-set methods. In order to solve partial differential equations on such domains, a range of numerical methods was…
We construct a probabilistic representation of a system of fully coupled parabolic equations arising as a model describing spatial segregation of interacting population species. We derive a closed system of stochastic equations such that…
In this paper, we propose a novel, computationally efficient reduced order method to solve linear parabolic inverse source problems. Our approach provides accurate numerical solutions without relying on specific training data. The forward…
An algorithmic method using conservation law multipliers is introduced that yields necessary and sufficient conditions to find invertible mappings of a given nonlinear PDE to some linear PDE and to construct such a mapping when it exists.…
The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps…
The integral equation approach to partial differential equations (PDEs) provides significant advantages in the numerical solution of the incompressible Navier-Stokes equations. In particular, the divergence-free condition and boundary…
Molecular dynamics (MD) simulations enable the study of the motion of small and large (bio)molecules and the estimation of their conformational ensembles. The description of the environment (solvent) has thereby a large impact. Implicit…
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the…
In this work we present a mass conservative numerical scheme for two-phase flow in porous media. The model for flow consists on two fully coupled, non-linear equations: a degenerate parabolic equation and an elliptic equation. The proposed…
The multipole-expansion (MPE) model is an implicit solvation model used to efficiently incorporate solvent effects in quantum chemistry. Even within the recent direct approach, the multipole basis used in MPE to express the dielectric…
We present direct methods and symbolic software for the computation of conservation laws of nonlinear partial differential equations (PDEs) and differential-difference equations (DDEs).The methods are applied to nonlinear PDEs in (1+1)…
A direct method for the computation of polynomial conservation laws of polynomial systems of nonlinear partial differential equations (PDEs) in multi-dimensions is presented. The method avoids advanced differential-geometric tools. Instead,…
A mathematical model in terms of partial differential equations (PDE) for the calculation of double freeform surfaces for irradiance and phase control with predefined input and output wavefronts is presented. It extends the results of…
In the first part of planned series of papers the formal general solutions to selection of 80 examples of different types of second order nonlinear PDEs in two independent variables with constant parameters are given. The main goal here is…