相关论文: A Nonlocal size modified Poisson-Boltzmann Model a…
MNPBEM is a Matlab toolbox for the simulation of metallic nanoparticles (MNP), using a boundary element method (BEM) approach. The main purpose of the toolbox is to solve Maxwell's equations for a dielectric environment where bodies with…
Phasor Measurement Units (PMUs) are essential measuring devices for monitoring, control and protection of power systems. The objective of the optimal PMU placement (OPP) problem is to minimize the number of PMUs and select the bus locations…
We aim to study the properties of nuclei in the south region of $^{208}$Pb systematically, including the binding and excitation energies and electromagnetic properties, in order to predict unknown properties of these nuclei, such as…
In ionic solutions, there are multi-species charged particles (ions) with different properties like mass, charge etc. Macroscopic continuum models like the Poisson-Nernst-Planck (PNP) systems have been extensively used to describe the…
Efficiently solving Poisson equations on complex, irregular domains remains a fundamental challenge in scientific computing, as classical iterative solvers often suffer from prohibitive runtime due to ill-conditioned systems. While neural…
A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of pairwise-additive potentials, as in the…
A finite element solution of an ion channel dielectric continuum model such as Poisson-Boltzmann equation (PBE) and a system of Poisson-Nernst-Planck equations (PNP) requires tetrahedral meshes for an ion channel protein region, a membrane…
The electrostatic potential in the neighborhood of a biomolecule can be computed thanks to the non-linear divergence-form elliptic Poisson-Boltzmann PDE. Dedicated Monte-Carlo methods have been developed to solve its linearized version (see…
We consider a class of nonlinear elliptic problems associated with models in biophysics, which are described by the Poisson-Boltzmann equation (PBE). We prove mathematical correctness of the problem, study a suitable class of…
This paper addresses the challenge of developing efficient algorithms for large-scale nonconvex multiobjective optimization problems (MOPs). While quasi-Newton methods are effective, their traditional application to MOPs is computationally…
In this paper, we develop a domain decomposition method for the nonlinear Poisson-Boltzmann equation based on a solvent-excluded surface widely used in computational chemistry. The model relies on a nonlinear equation defined in…
A three-dimensional (3D) Poisson solver with longitudinal periodic and transverse open boundary conditions can have important applications in beam physics of particle accelerators. In this paper, we present a fast efficient method to solve…
The Poisson equation has wide applications in many areas of science and engineering. Although there are some quantum algorithms that can efficiently solve the Poisson equation, they generally require a fault-tolerant quantum computer which…
We analyze a new framework for expressing finite element methods on arbitrarily many intersecting meshes: multimesh finite element methods. The multimesh finite element method, first presented in [40], enables the use of separate meshes to…
Metal additive manufacturing via laser-based powder bed fusion (PBF-LB/M) faces performance-critical challenges due to complex melt pool and vapor dynamics, often oversimplified by computational models that neglect crucial aspects, such as…
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into…
We present a new technique to apply finite element methods to partial differential equations over curved domains. A change of variables along a coordinate transformation satisfying only low regularity assumptions can translate a Poisson…
We propose a flexible change-point model for inhomogeneous Poisson Processes, which arise naturally from next-generation DNA sequencing, and derive score and generalized likelihood statistics for shifts in intensity functions. We construct…
Wereportonanewmultiscalemethodapproachforthestudyofsystemswith wide separation of short-range forces acting on short time scales and long-range forces acting on much slower scales. We consider the case of the Poisson-Boltzmann equation that…
Poisson's equation plays an important role in modeling many physical systems. In electrostatic self-consistent low-temperature plasma (LTP) simulations, Poisson's equation is solved at each simulation time step, which can amount to a…