Related papers: Adaptive pseudo-time methods for the Poisson-Boltz…
In this paper, we apply the range-separated (RS) tensor format [6] for the construction of new regularization scheme for the Poisson-Boltzmann equation (PBE) describing the electrostatic potential in biomolecules. In our approach, we use…
In this paper, we derive an a-posteriori error indicator for the Generalized Multiscale Finite Element Method (GMsFEM) framework. This error indicator is further used to develop an adaptive enrichment algorithm for the linear elliptic…
For time integration of transient eddy current problems commonly implicit time integration methods are used, where in every time step one or several nonlinear systems of equations have to be linearized with the Newton-Raphson method due to…
This paper presents a space-time finite element method (FEM) based on an unfitted mesh for solving parabolic problems on moving domains. Unlike other unfitted space-time finite element approaches that commonly employ the discontinuous…
The Poisson-Boltzmann equation (PBE) is a fundamental implicit solvent continuum model for calculating the electrostatic potential of large ionic solvated biomolecules. However, its numerical solution encounters severe challenges arising…
The pseudopotential lattice Boltzmann method (LBM) is a prominent approach for simulating multiphase flows, valued for its physical intuitiveness and computational tractability. However, existing immiscible pseudopotential methods for…
Solving partial differential equations is difficult. Recently proposed neural resolution-invariant models, despite their effectiveness and efficiency, usually require equispaced spatial points of data. However, sampling in spatial domain is…
Many new possibilities to observe and use novel physical effects are discovered at so called exceptional points (EPs). This is done by using parity-time (PT) -symmetric non-Hermitian systems and balancing gains and losses. When combined…
We present a framework for solving partial different equations on evolving surfaces. Based on the grid-based particle method (GBPM) [18], the method can naturally resample the surface even under large deformation from the motion law. We…
We propose a Lawson-time-splitting extended Fourier pseudospectral (LTSeFP) method for the numerical integration of the Gross-Pitaevskii equation with time-dependent potential that is of low regularity in space. For the spatial…
In computational biochemistry and biophysics, understanding the role of electrostatic interactions is crucial for elucidating the structure, dynamics, and function of biomolecules. The Poisson-Boltzmann (PB) equation is a foundational tool…
The second paper of this series presents two robust entropy stable shock-capturing methods for discontinuous Galerkin spectral element (DGSEM) discretizations of the compressible magneto-hydrodynamics (MHD) equations. Specifically, we use…
Partial differential equations (PDEs) provide a mathematical foundation for simulating and understanding intricate behaviors in both physical sciences and engineering. With the growing capabilities of deep learning, data$-$driven approaches…
Partial differential equations (PDEs) have become an essential tool for modeling complex physical systems. Such equations are typically solved numerically via mesh-based methods, such as finite element methods, with solutions over the…
Elliptic Partial Differential Equations (PDEs) play a central role in computing the equilibrium conditions of physical problems (heat, gravitation, electrostatics, etc.). Efficient solutions to elliptic PDEs are also relevant to computer…
The aim of this paper is to present and validate two new procedures to enforce the Geometric Conservation Law (GCL) on a moving grid for an Arbitrary Lagrangian Eulerian (ALE) formulation of the Euler equations discretized in time for…
We explore a new way to handle flux boundary conditions imposed on level sets. The proposed approach is a diffuse interface version of the shifted boundary method (SBM) for continuous Galerkin discretizations of conservation laws in…
In the present paper, a fluid-particle coupling method is directly derived from the Navier-Stokes equations (NSE) by applying the concept of volume-filtering, yielding a physically consistent methodology to incorporate solid wall boundary…
In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. Mixed generalized multiscale finite element method (GMsFEM)…
Gaussian processes (GPs) are important probabilistic tools for inference and learning in spatio-temporal modelling problems such as those in climate science and epidemiology. However, existing GP approximations do not simultaneously support…