Related papers: A project based on Multi-Configuration Dirac-Fock …
Model predictive control (MPC) is an optimization-based control strategy with broad industrial adoption. Unfortunately, the required computation time to solve the receding-horizon MPC optimization problem can become prohibitively large for…
Outstanding advances in solid-state laser technology, employing the optical parametric chirped-pulse-amplification (OPCPA) technique, have led physicists to focus laser pulses to highly-relativistic intensities which led to novel schemes…
It was shown by several authors that closed high pressure arc a.c. discharge in mercury vapors with addition of metal halide cannot be described in frames of the local thermodynamic equilibrium (LTE) model. However some plasma parameters…
High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) is a vital tool for characterizing single-atom catalysts (SACs). However, reliable elemental identification of different atoms remains challenging because…
The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation…
Implicit Monte Carlo (IMC) and Discrete Diffusion Monte Carlo (DDMC) are methods used to stochastically solve the radiative transport and diffusion equations, respectively. These methods combine into a hybrid transport-diffusion method we…
The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution…
Customized voltage waveforms composed of a number of frequencies and used as the excitation of radio-frequency plasmas can control various plasma parameters such as energy distribution functions, homogeneity of the ionflux or ionization…
This work describes a new 1D hybrid approach for modeling atmospheric pressure discharges featuring complex chemistry. In this approach electrons are described fully kinetically using Particle-In-Cell/Monte-Carlo (PIC/MCC) scheme, whereas…
In this paper, we propose a methodology for partitioning and mapping computational intensive applications in reconfigurable hardware blocks of different granularity. A generic hybrid reconfigurable architecture is considered so as the…
This paper presents a hybrid Sequential Convex Programming (SCP) framework for solving the unbalanced three-phase AC Optimal Power Flow (OPF) problem. The method combines a fixed McCormick outer approximation of bilinear voltage-current…
We propose a time-adaptive predictor/multi-corrector method to solve hyperbolic partial differential equations, based on the generalized-$\alpha$ scheme that provides user-control on the numerical dissipation and second-order accuracy in…
A data-driven model identification strategy is developed for dynamical systems near a supercritical Hopf bifurcation with nonautonomous inputs. This strategy draws on phase-amplitude reduction techniques, leveraging an analytical…
We present a new method that enables the identification and analysis of both transition and metastable conformational states from atomistic or coarse-grained molecular dynamics (MD) trajectories. Our algorithm is presented and studied by…
Unmanned aerial vehicles (UAV)-based object detection with visible (RGB) and infrared (IR) images facilitates robust around-the-clock detection, driven by advancements in deep learning techniques and the availability of high-quality…
Modelling of stellar radiative intensities in various spectral pass-bands plays an important role in stellar physics. At the same time the direct calculations of the high-resolution spectrum and then integrating it over the given spectral…
Adaptive radar waveform design grounded in information-theoretic principles is critical for advancing cognitive radar performance in complex environments. This paper investigates the optimization of phase-coded waveforms under constant…
This paper proposes a new large-scale mask-compliant spectral precoder (LS-MSP) for orthogonal frequency division multiplexing systems. In this paper, we first consider a previously proposed mask-compliant spectral precoding scheme that…
Radiative transfer plays a key role in the star formation process. Due to a high computational cost, radiation-hydrodynamics simulations performed up to now have mainly been carried out in the grey approximation. In recent years,…
We present an implementation and benchmark of new approximations in multireference algebraic diagrammatic construction theory for simulations of neutral electronic excitations and UV/Vis spectra of strongly correlated molecular systems…