相关论文: Revised Periodic Boundary Conditions: Fundamentals…
Restricted Boltzmann Machines (RBMs) are generative models which can learn useful representations from samples of a dataset in an unsupervised fashion. They have been widely employed as an unsupervised pre-training method in machine…
In numerical simulations of many charged systems at the micro/nano scale, a common theme is the repeated solution of the Poisson-Boltzmann equation. This task proves challenging, if not entirely infeasible, largely due to the nonlinearity…
Recent advances in both theoretical and computational methods have enabled large-scale, precision calculations of the properties of atomic nuclei. With the growing complexity of modern nuclear theory, however, also comes the need for novel…
Credibility building activities in computational research include verification and validation, reproducibility and replication, and uncertainty quantification. Though orthogonal to each other, they are related. This paper presents…
We experimentally implement a virtual geometric periodicity in an elastic metamaterial. First, unwanted boundary reflections at the domain ends are cancelled through the iterative injection of the polarity reversed, reflected wavefield. The…
Fluid thermodynamics underpins atmospheric dynamics, climate science, industrial applications, and energy systems. However, direct numerical simulations (DNS) of such systems can be computationally prohibitive. To address this, we present a…
Molecular dynamics simulations are widely used across chemistry, physics, and biology, providing quantitative insight into complex processes with atomic detail. However, their limited timescale of a few microseconds is a significant…
This paper explores how to adapt a new dynamical core to enable its use in one-way nested regional weather and climate models, where lateral boundary conditions (LBCs) are provided by a lower-resolution driving model. The dynamical core has…
The modeling of finite-extent semiconductor nanostructures that are embedded in a host material requires the numerical treatment of the boundary in a finite simulation domain. For the study of a self-assembled InAs dot embedded in GaAs,…
In this paper, we develop an accurate and efficient framework for computing subwavelength guided modes in high-contrast periodic media with line defects, based on a tight-binding approximation. The physical problem is formulated as an…
In a model of a gate-patterned quantum device it is important to choose the correct electrostatic boundary conditions (BCs) in order to match experiment. In this study, we model gated-patterned devices in doped and undoped GaAs…
We address periodic-image errors arising from the use of periodic boundary conditions to describe systems that do not exhibit full three-dimensional periodicity. The difference between the periodic potential, as straightforwardly obtained…
Extracting automatically the complex set of features composing real high-dimensional data is crucial for achieving high performance in machine--learning tasks. Restricted Boltzmann Machines (RBM) are empirically known to be efficient for…
We propose methods that augment existing numerical schemes for the simulation of hyperbolic balance laws with Dirichlet boundary conditions to allow for the simulation of a broad class of differential algebraic conditions. Our approach is…
We discuss two aspects of turbulent Rayleigh-B\'{e}nard convection (RBC) on the basis of high-resolution direct numerical simulations in a unique setting; a closed cylindrical cell of aspect ratio of one. First, we present a comprehensive…
We describe a new approach to derive numerical approximations of boundary conditions for high-order accurate finite-difference approximations. The approach, called the Local Compatibility Boundary Condition (LCBC) method, uses boundary…
In this paper exact 1D transparent boundary conditions (TBC) for the 2D parabolic wave equation with a linear or a quadratic dependence of the dielectric permittivity on the transversal coordinate are reported. Unlike the previously derived…
We propose a new Nitsche-type approach for weak enforcement of normal velocity boundary conditions for a Lagrangian discretization of the compressible shock-hydrodynamics equations using high-order finite elements on curved boundaries.…
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…
In this paper, we investigate the effect of boundary surface roughness on numerical simulations of incompressible fluid flow past a cylinder in two and three spatial dimensions furnished with slip boundary conditions. The governing…