Related papers: A project based on Multi-Configuration Dirac-Fock …
This paper presents a new Bayesian model and algorithm used for depth and intensity profiling using full waveforms from the time-correlated single photon counting (TCSPC) measurement in the limit of very low photon counts. The model…
We present a computational study of 2$p$ core-level X-ray photoemission spectra of transition metal monoxides MO (M=Ni, Co, Mn) and sesquioxides M$_2$O$_3$ (M=V, Cr, Fe) using a theoretical framework based on the local-density approximation…
In this paper, we carry out tests on the Monte Carlo Markov Chain (MCMC) technique with the aim of determining: 1) its ability to retrieve isothermal plasmas from a set of spectral line intensities, with and without random noise; 2) to what…
We present algebraic diagrammatic construction theory for simulating spin-orbit coupling and electron correlation in charged electronic states and photoelectron spectra. Our implementation supports Hartree-Fock and multiconfigurational…
A configuration-interaction time-dependent density functional theory (CI-TDDFT) for nuclear dynamics is developed. In this framework, the correlated nuclear many-body wave function is expanded in terms of time-dependent many-particle…
Multi-objective model predictive control (MOMPC) for fixed point stabilization requires an automated a priori decision-making (DM) mechanism to translate a high-level preference into a single solution. To this aim, we introduce an approach…
Accurate aerodynamic prediction often relies on high-fidelity simulations; however, their prohibitive computational costs severely limit their applicability in data-driven modeling. This limitation motivates the development of…
The particle flow approach to calorimetry can provide unprecedented jet energy resolution at a future high energy collider, such as the International Linear Collider (ILC). However, the use of particle flow calorimetry at the proposed…
We review time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method and time-dependent optimized coupled-cluster (TD-OCC) method for first-principles simulations of high-field phenomena such as tunneling ionization and…
Optical emission spectroscopy applied to non-equilibrium plasmas in molecular gases can give important information on basic plasma parameters, including the rotational, vibrational temperatures and densities of the investigated radiative…
The Phase Diverse Speckle (PDS) problem is formulated mathematically as Multi Frame Blind Deconvolution (MFBD) together with a set of Linear Equality Constraints (LECs) on the wavefront expansion parameters. This MFBD-LEC formulation is…
A new combined PIC-MCC approach is developed for accurate and fast simulation of a radio frequency discharge at low gas pressure and high density of plasma. Test calculations of transition between different modes of electron heating in a…
We present an arbitrarily high-order, conditionally stable, partitioned spectral deferred correction (SDC) method for solving multiphysics problems using a sequence of pre-existing single-physics solvers. This method extends the work in [1,…
Markov Decision Process (MDP) is the underlying model for optimal planning for decision-theoretic agents in stochastic environments. Although much research focuses on solving MDP problems both in tabular form or using factored…
This paper presents the first implementation of a coupling between advanced wave function theories and molecular density functional theory (MDFT). This method enables the modeling of solvent effect into quantum mechanical (QM) calculations…
Multi-view image compression (MIC) aims to achieve high compression efficiency by exploiting inter-image correlations, playing a crucial role in 3D applications. As a subfield of MIC, distributed multi-view image compression (DMIC) offers…
Color centers play key roles in applications, including, e.g., solid state lighting and quantum information technology, for which the coupling between their optical and vibrational properties is crucial. Established methodologies for…
We developed a three-dimensional radiative transfer code for an ultra-relativistic background flow-field by using the Monte Carlo (MC) method in the context of gamma-ray burst (GRB) emission. For obtaining reliable simulation results in the…
We consider the problem of energy-efficient on-line scheduling for slice-parallel video decoders on multicore systems. We assume that each of the processors are Dynamic Voltage Frequency Scaling (DVFS) enabled such that they can…
We present a multiscale finite element method for a diffusion problem with rough and high contrast coefficients. The construction of the multiscale finite element space is based on the localized orthogonal decomposition methodology and it…