Related papers: Electrostatics in Periodic Slab Geometries I
We show that finite-range alternatives to the standard long-range BKS pair potential for silica might be used in molecular dynamics simulations. We study two such models that can be efficiently simulated since no Ewald summation is…
In various astrophysics settings it is common to have a two-fluid relativistic plasma that interacts with the electromagnetic field. While it is common to ignore the displacement current in the ideal, classical magnetohydrodynamic limit,…
A slab based long range correction approach for multi-site Lennard-Jones models is presented for systems with a planar film geometry that is based on the work by Janecek, J. Phys. Chem. B 110: 6264 (2006). It is efficient because it relies…
The EMD algorithm, first proposed in [11], made more robust as well as more versatile in [12], is a technique that aims to decompose into their building blocks functions that are the superposition of a (reasonably) small number of…
The Lattice Boltzmann Method (LBM), e.g. in [ 1] and [2 ], can be interpreted as an alternative method for the numerical solution of partial differential equations. Consequently, although the LBM is usually applied to solve fluid flows, the…
The random batch Ewald (RBE) is an efficient and accurate method for molecular dynamics (MD) simulations of physical systems at the nano-/micro- scale. The method shows great potential to solve the computational bottleneck of long-range…
Recently an algorithm was given in [Garde & Hyv\"onen, SIAM J. Math. Anal., 2024] for exact direct reconstruction of any $L^2$ perturbation from linearised data in the two-dimensional linearised Calder\'on problem. It was a simple forward…
To handle the different types of surface reconstruction tasks, we have replicated as well as modified a few of reconstruction methods and have made comparisons between the traditional method and data-driven method for reconstruction the…
Numerical simulation of the laser powder bed fusion (LPBF) procedure for additive manufacturing (AM) is difficult due to the presence of multiple scales in both time and space, ranging from the part scale (order of millimeters/seconds) to…
We consider a model of a D-dimensional tethered manifold interacting by excluded volume in R^d with a single point. Use of intrinsic distance geometry provides a rigorous definition of the analytic continuation of the perturbative expansion…
This comprehensive review examines electrical and seismic refraction methods, emphasizing their advanced applications in electrical resistivity tomography (ERT) and seismic refraction tomography (SRT). These techniques are crucial for…
Electron tomography is a technique used in both materials science and structural biology to image features well below optical resolution limit. In this work, we present a new algorithm for reconstructing the three-dimensional(3D)…
We employ two different atomistic methods to investigate solute-defect interactions in nanosized palladium-hydrogen (Pd-H) systems across multiple time scales. The first method, referred to as Diffusive Molecular Dynamics (DMD), focuses on…
Modern 3D laser-range scanners have a high data rate, making online simultaneous localization and mapping (SLAM) computationally challenging. Recursive state estimation techniques are efficient but commit to a state estimate immediately…
The modeling of solid-state transformations, such as polymorphic transitions and chemical reactions in molecular crystals, is vital for many applications including drug design or the development of new synthesis methods. However, a…
Electrode-electrolyte interfaces are crucial for electrochemical energy conversion and storage. At these interfaces, the liquid electrolytes form electrical double layers (EDLs). However, despite more than a century of active research, the…
Null collapse is an implosive process whereby MHD waves focus their energy in the vicinity of a null point, forming a current sheet and initiating magnetic reconnection. We consider, for the first time, the case of collapsing 3D magnetic…
We present a novel method for 3D surface reconstruction from multiple images where only a part of the object of interest is captured. Our approach builds on two recent developments: surface reconstruction using neural radiance fields for…
We propose a visual SLAM method by predicting and updating line flows that represent sequential 2D projections of 3D line segments. While feature-based SLAM methods have achieved excellent results, they still face problems in challenging…
In this note, we derive Ewald sums for Yukawa potential for three dimensional systems with two dimensional periodicity. This sums are derived from the Ewald sums for Yukawa potentials with three dimensional periodicity [G. Salin and J.-M.…