March 2022 - 13 articles
Quantum embedding is a divide and conquer strategy that aims at solving the electronic Schrödinger equation of sizeable molecules or extended systems. We establish in the present work a clearer and in-principle-exact connection between density m...
This study aims at developing models in analyzing the results of proficiency testing (PT) schemes for a limited number of participants. The models can determine the best estimators of location and dispersion using unsatisfactory results as a criterio...
Full-potential linearized augmented plane wave (LAPW) and APW plus local orbital (APW+lo) codes differ widely in both their user interfaces and in capabilities for calculations and analysis beyond their common central task of all-electron solution of...
Maritime operations rely heavily on surveillance and require reliable and timely data that can inform decisions and planning. Critical information in such cases includes the exact location of objects in the water, such as vessels, persons, and others...
This paper deals with the issues of computation of the nonlinear load harmonic currents in the presence of external distortions based on the real measurements with help of passive harmonic. Such values are necessary when modeling an equivalent nonlin...
The scope of this research is to develop a hyperstable adaptive control system of a direct current (DC) drive speed for effective load torque attenuation. The proposed speed controller is based on the model reference adaptive control framework and in...
The interest for properties of clusters deposited on surfaces has grown in recent years. In this framework, the Density Functional based Tight Binding (DFTB) method appears as a promising tool due to its ability to treat extended systems at the quant...
This paper presents a regularization framework that aims to improve the fidelity of Tikhonov inverse solutions. At the heart of the framework is the data-informed regularization idea that only data-uninformed parameters need to be regularized, while...
Bio-inspired algorithms are a suitable alternative for solving multi-objective optimization problems. Among different proposals, a widely used approach is based on the Pareto front. In this document, a proposal is made for the analysis of the optimal...
Early prediction of mortality and risk of deterioration in COVID-19 patients can reduce mortality and increase the opportunity for better and more timely treatment. In the current study, the DL model and explainable artificial intelligence (EAI) were...
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