Related papers: Efficient numerical algorithm for multi-level ioni…
Multi-level methods are widely used for the solution of large-scale problems, because of their computational advantages and exploitation of the complementarity between the involved sub-problems. After a re-interpretation of multi-level…
In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. This multiphysics algorithm employs an Eulerian description of fluid and ions, combined…
Owing to its numerical simplicity, a two-dimensional two-electron model atom, with each electron moving in one direction, is an ideal system to study non-perturbatively a fully correlated atom exposed to a laser field. Frequently made…
First-order energy dissipative schemes in time are available in literature for the Poisson-Nernst-Planck (PNP) equations, but second-order ones are still in lack. This work proposes novel second-order discretization in time and finite…
We present an explicit temporal discretization of particle-in-cell schemes for the Vlasov equation that results in exact energy conservation when combined with an appropriate spatial discretization. The scheme is inspired by a simple,…
The recently developed iterated stockholder atoms (ISA) approach of Lillestolen and Wheatley (Chem. Commun. {\bf 2008}, 5909 (2008)) offers a powerful method for defining atoms in a molecule. However, the real-space algorithm is known to…
A gradient-based optimization approach combined with automatic differentiation is employed to ensure high accuracy and scalability when working with high-dimensional parameter spaces. Numerical simulations confirm the effectiveness of the…
In this paper we present algorithms for an efficient implementation of the Localized Orthogonal Decomposition method (LOD). The LOD is a multiscale method for the numerical simulation of partial differential equations with a continuum of…
Systems of linear equations are used to model a wide array of problems in all fields of science and engineering. Recently, it has been shown that quantum computers could solve linear systems exponentially faster than classical computers,…
We present the standard electromagnetic Particle-in-Cell method, starting from the discrete approximation of derivatives on a uniform grid. The application to second-order, centered, finite-difference discretization of the equations of…
We deal with the numerical solution of linear partial differential equations (PDEs) with focus on the goal-oriented error estimates including algebraic errors arising by an inaccurate solution of the corresponding algebraic systems. The…
We present an explicit multiscale algorithm for solving differential equations for problems with high-frequency modes that can be averaged over by separating and scaling the fast and slow dynamics within a single equation. We introduce a…
We describe a fourth-order accurate finite-difference time-domain scheme for solving dispersive Maxwell's equations with nonlinear multi-level carrier kinetics models. The scheme is based on an efficient single-step three time-level…
We train a model atom to recognize hand-written digits between 0 and 9, employing intense light--matter interaction as a computational resource. For training, individual images of hand-written digits in the range 0-9 are converted into…
We propose a physical scheme for implementing the Deutsch-Jozsa algorithm using atomic ensembles and optical devices. The scheme has inherent fault tolerance to the realistic noise and efficient scaling with the number of ensembles for some…
One of the most robust methods, demonstrated up to date, of accelerating electron beams by laser-plasma sources is the utilization of plasma channels generated by the capillary discharges. These channels, i.e., plasma columns with a minimum…
Laser-driven ion accelerators have the advantages of compact size, high density, and short bunch duration over conventional accelerators. Nevertheless, it is still challenging to simultaneously enhance the yield and quality of laser-driven…
Quantum computational approaches to some classic target identification and localization algorithms, especially for radar images, are investigated, and are found to raise a number of quantum statistics and quantum measurement issues with…
A local optimization method based on Bayesian Gaussian Processes is developed and applied to atomic structures. The method is applied to a variety of systems including molecules, clusters, bulk materials, and molecules at surfaces. The…
Scalable quantum technologies will present challenges for characterizing and tuning quantum devices. This is a time-consuming activity, and as the size of quantum systems increases, this task will become intractable without the aid of…