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Materias / palabras clave: Science: Mathematics: Probabilities. Mathematical statistics; Science: Mathematics: Instruments and machines

Materias / palabras clave: Science: Mathematics; Technology: Technology (General): Industrial engineering. Management engineering: Applied mathematics. Quantitative methods

This paper presents an innovative parallel computational methodology employing adaptive fractional differential operators to address Monkeypox epidemiological modeling challenges. The complex dynamics of such models ofte...

The arithmetic of Hilbert modular forms has been extensively studied under the assumption that the forms concerned are “paritious”—all the components of the weight are congruent modulo 2. In contrast, non-paritious...

INTRODUCTION: Accurate power quality disturbances (PQDs) classification is critical for maintaining grid stability and reliability in modern power systems. However, existing deep learning methods predominantly rely on si...

Inverse rising factorial moments [Formula: see text] are fundamental quantities for positive integer-valued random variables, with broad applications in probability and combinatorics. Despite their importance, there is a...

Modeling data that falls within the [0,1] domain is a huge task in most scientific disciplines. This is because most classical distributions do not address the issues of complex data shapes as well as managing the dynami...

Materias / palabras clave: Turbulence; Turbulence kinetic energy; Computation; K-epsilon turbulence model; K-omega turbulence model; Dissipation; Mechanics; Flow (mathematics); Statistical physics; Turbulence modeling; Range (aeronautics); Physics

We present here a new version of the Arlequin program available under three different forms: a Windows graphical version (Winarl35), a console version of Arlequin (arlecore), and a specific console version to compute sum...

Materias / palabras clave: Mathematics; Series (stratigraphy); Table (database); Order of integration (calculus); Algebra over a field; Mathematical analysis; Pure mathematics; Data mining; Computer science; Biology; Paleontology

Materias / palabras clave: Mathematics; Applied mathematics; Calculus (dental); Dentistry; Medicine

A new direct difference method for the computation of molecular interactions has been based on a bivariational transcorrelated treatment, together with special methods for the balancing of other errors. It appears that t...

Abstract This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chem...

We describe here a general Amber force field (GAFF) for organic molecules. GAFF is designed to be compatible with existing Amber force fields for proteins and nucleic acids, and has parameters for most organic and pharma...

Materias / palabras clave: Exposition (narrative); Computer science; Automaton; Computation; Theory of computation; Theoretical computer science; Automata theory; Formal language; Model of computation; Programming language; Art; Literature

This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s. The software, written in ANSI C, origi...

Evolutionary computation techniques, genetic algorithms, evolutionary strategies and genetic programming are motivated by the evolution of nature. A population of individuals, which encode the problem solutions are manip...

An object recognition system has been developed that uses a new class of local image features. The features are invariant to image scaling, translation, and rotation, and partially invariant to illumination changes and a...

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high-end parallel platforms, as well as tens of processors on lo...

Abstract ORCA is a general‐purpose quantum chemistry program package that features virtually all modern electronic structure methods (density functional theory, many‐body perturbation and coupled cluster theories, an...

A series of auxiliary basis sets to fit Coulomb potentials for the elements H to Rn (except lanthanides) is presented. For each element only one auxiliary basis set is needed to approximate Coulomb energies in conjunctio...

The caret package, short for classification and regression training, contains numerous tools for developing predictive models using the rich set of models available in R. The package focuses on simplifying model training...

Evolutionary algorithms (EAs) are often well-suited for optimization problems involving several, often conflicting objectives. Since 1985, various evolutionary approaches to multiobjective optimization have been develope...

A method for accurate and efficient local density functional calculations (LDF) on molecules is described and presented with results. The method, Dmol for short, uses fast convergent three-dimensional numerical integrati...