Related papers: Long range correction for multi-site Lennard-Jones…
We present a simple and general way to accurately describe long-range interactions between atoms and molecules through combining neural networks with physical models. Demonstrations on the H$_3$, Li$_3$ and 2KRb systems illustrate the…
Using the specific model of a system of like charged ions confined between two planar like charged surfaces, we compare the predictions for the energy and density profile of four simulation methods available to treat the long range Coulomb…
Direct methods have shown promise on visual odometry and SLAM, leading to greater accuracy and robustness over feature-based methods. However, offline 3-d reconstruction from internet images has not yet benefited from a joint, photometric…
Highly heterogeneous, anisotropic coefficients, e.g. in the simulation of carbon-fibre composite components, can lead to extremely challenging finite element systems. Direct solvers for the resulting large and sparse linear systems suffer…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
We present results illustrating the effects of using explicit summation terms for the $r^{-6}$ dispersion term on the interfacial properties of a Lennard-Jones fluid and SPC/E water. For the Lennard-Jones fluid, we find that the use of…
Molecular models of real fluids are validated by comparing the vapor-liquid surface tension from molecular dynamics (MD) simulation to correlations of experimental data. The considered molecular models consist of up to 28 interaction sites,…
Lubrication theory makes use of the assumptions of a long and thin fluid domain and a small scaled Reynolds number to formulate a linearized approximation to the Navier-Stokes equations. Extended lubrication theory aims to improve the model…
We propose a multiscale method for mixed-dimensional elliptic problems with highly heterogeneous coefficients arising, for example, in the modeling of fractured porous media. The method is based on the Localized Orthogonal Decomposition…
We have extended the multilevel summation (MLS) method, originally developed to evaluate long-range Coulombic interactions in molecular dynamics (MD) simulations [Skeel et al., J. Comput. Chem., 23, 673 (2002)], to handle dispersion…
Long-range dependency modeling has been widely considered in modern deep learning based semantic segmentation methods, especially those designed for large-size remote sensing images, to compensate the intrinsic locality of standard…
Molecular dynamics simulations of aqueous electrolytes generally rely on empirical force fields, combining dispersion interactions - described by a truncated Lennard-Jones (LJ) potential - and electrostatic interactions - described by a…
Objective: Long-axial field-of-view (LAFOV) positron emission tomography (PET) systems allow higher sensitivity, with an increased number of detected lines of response induced by a larger angle of acceptance. However, this extended angle…
The process of adsorption on a planar wall of long-flexible polymer chains in the medium with quenched long-range correlated disorder is investigated. We focus on the case of correlations between defects or impurities that decay according…
Linear Mixed-Effects (LME) models are a fundamental tool for modeling correlated data, including cohort studies, longitudinal data analysis, and meta-analysis. Design and analysis of variable selection methods for LMEs is more difficult…
A field-theoretic approach is applied to describe behavior of homogeneous three-dimensional systems with long-range interactions defined by two order parameters at bicritical and tetracritical points. Renormalization- group equations are…
Linear attention mechanisms have gained prominence in causal language models due to their linear computational complexity and enhanced speed. However, the inherent decay mechanism in linear attention presents challenges when applied to…
Large tensors are frequently encountered in various fields such as computer vision, scientific simulations, sensor networks, and data mining. However, these tensors are often too large for convenient processing, transfer, or storage.…
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…
Multiple lidars are prevalently used on mobile vehicles for rendering a broad view to enhance the performance of localization and perception systems. However, precise calibration of multiple lidars is challenging since the feature…