Related papers: Phase space exchange-based bunch compression with …
A new, very fast, implementation of the exact (Fock) exchange operator for electronic structure calculations within the plane-wave pseudopotential method is described in detail for both molecular and periodic systems, and carefully…
The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…
This paper proposes an approach, Spectral Dynamics Embedding Control (SDEC), to optimal control for nonlinear stochastic systems. This method reveals an infinite-dimensional feature representation induced by the system's nonlinear…
The nonlinear space-charge effects in a high intensity or high brightness accelerator can have a significant impact on the beam properties through the accelerator. These effects are included in the accelerator design via self-consistent…
We propose a replica-exchange method (REM) which does not use pseudo random numbers. For this purpose, we first give a conditional probability for Gibbs sampling replica-exchange method (GSREM) based on the heat bath method. In GSREM,…
We consider the interference management problem in a multicell MIMO heterogenous network. Within each cell there are a large number of distributed micro/pico base stations (BSs) that can be potentially coordinated for joint transmission. To…
Bidirectional transport in (quasi) one-dimensional systems generically leads to cluster-formation and small particle currents. This kind of transport can be described by the asymmetric simple exclusion process (ASEP) with two species of…
Methods that combine collective variable (CV) based enhanced sampling and global tempering approaches are used in speeding-up the conformational sampling and free energy calculation of large and soft systems with a plethora of energy…
This paper studies a downlink multiuser transmit beamforming design under spherical channel uncertainties, using a worst-case robust formulation. This robust design problem is nonconvex. Recently, a convex approximation formulation based on…
We investigate theoretically the effects of intralayer and interlayer exchange in biased double-layer electron and hole systems, in the absence of a magnetic field. We use a variational Hartree-Fock-like approximation to analyze the effects…
In molecular simulations, efficient methods for investigating equilibration and slow relaxation in dense systems are crucial yet challenging. This study focuses on the diffusional characteristics of monodisperse hard disk systems at…
We study the existence and the rate of equilibration of weak solutions to a two-component system of non-linear diffusion-aggregation equations, with small cross diffusion effects. The aggregation term is assumed to be purely attractive, and…
We investigate the convergence of coupled-cluster correlation energies and related quantities with respect to the employed basis set size for the uniform electron gas to gain a better understanding of the basis set incompleteness error. To…
The positrons produced with the electron beam impinging on a conversion target, possess wide energy spectrum and large sweep of the angle of trajectories to the system axis. Accommodation of the positron bunch to the acceptance of an…
This paper presents a Gain-Scheduled Data-Enabled Predictive Control (GS-DeePC) framework for nonlinear systems based on multiple locally linear data representations. Instead of relying on a single global Hankel matrix, the operating range…
Using an end-to-end differentiable implementation of the Kohn-Sham self-consistent field equations, we obtain an accurate neural network-based exchange and correlation (XC) functional of the electronic density. The functional is optimized…
Coulomb interaction between charged particles is a well-known phenomenon in many areas of researches. In general the Coulomb repulsion force broadens the pulse width of an electron bunch and limits the temporal resolution of many scientific…
The combination of multi-component Bose-Einstein condensates (BECs) and phase imprinting techniques provides an ideal platform for exploring nonlinear dynamics and investigating the quantum transport properties of superfluids. In this…
We present a study of direct laser driven electron acceleration and scaling of attosecond bunch compression in unbound vacuum. Simple analytical expressions and detailed three-dimensional numerical calculations including space charge reveal…
Equations governing the nonlinear dynamics of complex systems are usually unknown and indirect methods are used to reconstruct their manifolds. In turn, they depend on embedding parameters requiring other methods and long temporal sequences…