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Materias / palabras clave: computational mathematics, data science, numerical methods, theoretical analysis, machine learning, data mining; Science: Mathematics: Instruments and machines: Electronic computers. Computer science

Materias / palabras clave: applied mathematics, algorithms, numerical methods, computational mathematics; Science: Mathematics; Language and Literature

This paper describes a computational approach to edge detection. The success of the approach depends on the definition of a comprehensive set of goals for the computation of edge points. These goals must be precise enoug...

Multi-objective evolutionary algorithms (MOEAs) that use non-dominated sorting and sharing have been criticized mainly for: (1) their O(MN/sup 3/) computational complexity (where M is the number of objectives and N is th...

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...

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...

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...

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 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...

By decomposing the image formation process into a sequential application of denoising autoencoders, diffusion models (DMs) achieve state-of-the-art synthesis results on image data and beyond. Additionally, their formulat...

Materias / palabras clave: mathematics, applied mathematics, computational mathematics, computational physics, mathematical sciences; Science: Mathematics

Materias / palabras clave: numerical methods, computational mathematics, computer networks, computational modeling, computational methodology, computational simulation; Science: Mathematics

Materias / palabras clave: ecology, computer software, artificial life, technology, computational mathematics; Technology: Technology (General); Science

Materias / palabras clave: computational methods, mathematical methods, applied mathematics, computational mathematics, numerical methods; Science: Mathematics; Technology: Technology (General): Industrial engineering. Management engineering: Appl...

Materias / palabras clave: computational methods, communication science, text analysis, big data; Language and Literature: Philology. Linguistics: Communication. Mass media; Science: Mathematics: Instruments and machines: Electronic computers. Com...

Materias / palabras clave: computational humanities, digital humanities; Social Sciences; Science: Mathematics: Instruments and machines: Electronic computers. Computer science: Computer software; General Works: History of scholarship and learning...

Materias / palabras clave: differential equations, computational methods, numerical linear algebra, optimal control; Technology: Technology (General): Industrial engineering. Management engineering: Applied mathematics. Quantitative methods

Materias / palabras clave: social sciences, computational economics, statistics, computers, education; Science: Mathematics: Instruments and machines: Electronic computers. Computer science; Social Sciences: Social sciences (General)

Materias / palabras clave: applied mathematics, computational mathematics; Science: Mathematics

Materias / palabras clave: applied mathematics, computational mathematics; Science: Mathematics

Materias / palabras clave: computational mechanics, applied mathematics, mathematical modelling, mechanical engineering; Technology: Technology (General): Industrial engineering. Management engineering: Applied mathematics. Quantitative methods

Materias / palabras clave: applied mathematics, differential equations, dynamical systems, fractional calculus, numerical analysis, probability and statistics; Science: Mathematics: Probabilities. Mathematical statistics; Science: Mathematics: Ins...