相关论文: A Nonlocal size modified Poisson-Boltzmann Model a…
We study the geometric particle-in-cell methods for an electrostatic hybrid plasma model. In this model, ions are described by the fully kinetic equations, electron density is determined by the Boltzmann relation, and space-charge effects…
Background: The lead region, Po, Pb, Hg, and Pt, shows up the presence of coexisting structures having different deformation and corresponding to different particle-hole configurations in the Shell Model language. Purpose: We intend to…
We develop the Sparse Approximate Matrix Multiply ($\tt SpAMM$) $n$-body solver for first order Newton Schulz iteration of the matrix square root and inverse square root. The solver performs recursive two-sided metric queries on a modified…
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…
Maximum entropy methods, rooted in the inverse Ising/Potts problem from statistical physics, are widely used to model pairwise interactions in complex systems across disciplines such as bioinformatics and neuroscience. While successful,…
The formation of biomolecular condensates inside cells often involve intrinsically disordered proteins (IDPs), and several of these IDPs are also capable of forming droplet-like dense assemblies on their own, through liquid-liquid phase…
The continuous matrix product state (cMPS) ansatz is a promising numerical tool for studying quantum many-body systems in continuous space. Although it provides a clean framework that allows one to directly simulate continuous systems, the…
Ion partitioning between different compartments (\emph{e.g.} a porous material and a bulk solution reservoir), known as Donnan equilibrium, plays a fundamental role in various contexts such as energy, environment, or water treatment. The…
We show strong uniform convergence of monotone P1 finite element methods to the viscosity solution of isotropic parabolic Hamilton-Jacobi-Bellman equations with mixed boundary conditions on unstructured meshes and for possibly degenerate…
The dynamics of fermionic many-body systems is investigated in the framework of Boltzmann-Langevin (BL) stochastic one-body approaches. Within the recently introduced BLOB model, we examine the interplay between mean-field effects and…
Non-Hermitian (NH) quantum systems have emerged as a powerful framework for describing open quantum systems, non-equilibrium dynamics, and engineered quantum optical materials. However, solving the ground-state properties of NH systems is…
In this paper, we define new unfitted finite element methods for numerically approximating the solution of surface partial differential equations using bulk finite elements. The key idea is that the $n$-dimensional hypersurface, $\Gamma…
We report on a computational approach based on the self-consistent solution of the steady-state Boltzmann transport equation coupled with the Poisson equation for the study of inhomogeneous transport in deep submicron semiconductor…
Physical models of biological systems can become difficult to interpret when they have a large number of parameters. But the models themselves actually depend on (i.e. are sensitive to) only a subset of those parameters. Rigorously…
The relaxed micromorphic model is a generalized continuum model that is well-posed in the space $X = [H^1]^3 \times [H(\textrm{curl})]^3$. Consequently, finite element formulations of the model rely on $H^1$-conforming subspaces and…
This paper presents a proximal bundle variant, namely, the relaxed proximal bundle (RPB) method, for solving convex nonsmooth composite optimization problems. Like other proximal bundle variants, RPB solves a sequence of prox bundle…
A nonlinear Poisson--Boltzmann equation with transmission boundary conditions at the interface between two materials is investigated. The model describes the electrostatic potential generated by a vector of ion concentrations in a periodic…
A new class of implicit-explicit (IMEX) methods combined with a p-adaptive mixed finite element formulation is proposed to simulate the diffusion of reacting species. Hierarchical polynomial functions are used to construct an…
Probabilistic Bit (P-Bit) device serves as the core hardware for implementing Ising computation. However, the severe intrinsic variations of stochastic P-Bit devices hinder the large-scale expansion of the P-Bit array, significantly…
We discuss how to implement the linear finite element method for solving the Poisson equation. We begin with the data structure to represent the triangulation and boundary conditions, introduce the sparse matrix, and then discuss the…