Related papers: A robust and accurate formulation of molecular and…
A non-singular formulation of the boundary integral method (BIM) is presented for the Laplace equation whereby the well-known singularities that arise from the fundamental solution are eliminated analytically. A key advantage of this…
The structure and function of biological molecules are strongly influenced by the water and dissolved ions that surround them. This aqueous solution (solvent) exerts significant electrostatic forces in response to the biomolecule's…
The boundary integral method (BIM) is a formulation of Helmholtz equation in the form of an integral equation suitable for numerical discretization to solve the quantum billiard. This paper is an extensive numerical survey of BIM in a…
We develop a boundary integral equation-based numerical method to solve for the electrostatic potential in two dimensions, inside a medium with piecewise constant conductivity, where the boundary condition is given by the complete electrode…
The Poisson-Boltzmann equation offers an efficient way to study electrostatics in molecular settings. Its numerical solution with the boundary element method is widely used, as the complicated molecular surface is accurately represented by…
A boundary integral formulation for the solution of the Helmholtz equation is developed in which all traditional singular behaviour in the boundary integrals is removed analytically. The numerical precision of this approach is illustrated…
The singularities that arise in elliptic boundary value problems are treated locally by a singular function boundary integral method. This method extracts the leading singular coefficients from a series expansion that describes the local…
Boundary element methods (BEM) are used for forward computation of bioelectromagnetic fields in multi-compartment volume conductor models. Most BEM approaches assume that each compartment is in contact with at most one external compartment.…
A novel smooth immersed boundary method (IBM) based on a direct-forcing formulation is proposed to simulate incompressible dense particle-laden flows. This IBM relies on a regularization of the transfer function between the Eulerian grid…
This paper presents a boundary-integral equation (BIE) method for the calculation of poloidal axisymmetric magnetic fields applicable in a wide range of ac frequencies. The method is based on the vector potential formulation and it uses the…
In this paper, we consider the boundary integral equation (BIE) method for solving the exterior Neumann boundary value problems of elastic and thermoelastic waves in three dimensions based on the Fredholm integral equations of the first…
A surface integral representation of Maxwell's equations allows the efficient electromagnetic (EM) modeling of three-dimensional structures with a two-dimensional discretization, via the boundary element method (BEM). However, existing BEM…
Helmholtz decompositions of the elastic fields open up new avenues for the solution of linear elastic scattering problems via boundary integral equations (BIE) [Dong, Lai, Li, Mathematics of Computation,2021]. The main appeal of this…
Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model…
We present a new derivation of a boundary integral equation (BIE) for simulating the three-dimensional dynamics of arbitrarily-shaped rigid particles of genus zero immersed in a Stokes fluid, on which are prescribed forces and torques. Our…
The Boundary Element Method (BEM) is a powerful numerical approach for solving 3D elastostatic problems, particularly useful for crack propagation in fracture mechanics and half-space problems. A key challenge in BEM lies in handling…
Continuum solvation methods can provide an accurate and inexpensive embedding of quantum simulations in liquid or complex dielectric environments. Notwithstanding a long history and manifold applications to isolated systems in open boundary…
We show that the standard boundary integral operators, defined on the unit sphere, for the Stokes equations diagonalize on a specific set of vector spherical harmonics and provide formulas for their spectra. We also derive analytical…
A scheme for rapidly and accurately computing solutions to boundary integral equations (BIEs) on rotationally symmetric surfaces in R^3 is presented. The scheme uses the Fourier transform to reduce the original BIE defined on a surface to a…
The use of boundary integral equations in modeling boundary value problems-such as elastic, acoustic, or electromagnetic ones-is well established in the literature and widespread in practical applications. These equations are typically…