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Abstract The CASTEP code for first principles electronic structure calculations will be described. A brief, non-technical overview will be given and some of the features and capabilities highlighted. Some features which ...

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...

Computational evolutionary biology, statistical phylogenetics and coalescent-based population genetics are becoming increasingly central to the analysis and understanding of molecular sequence data. We present the Bayesi...

We propose a novel image denoising strategy based on an enhanced sparse representation in transform domain. The enhancement of the sparsity is achieved by grouping similar 2-D image fragments (e.g., blocks) into 3-D data...

A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97-D is proposed. It is based on Becke's power-series ansatz from 1997 and is explicitly param...

The standard bootstrap (SBS), despite being computationally intensive, is widely used in maximum likelihood phylogenetic analyses. We recently proposed the ultrafast bootstrap approximation (UFBoot) to reduce computing t...

Summary 1. Here, I present a new, multifunctional phylogenetics package, phytools, for the R statistical computing environment. 2. The focus of the package is on methods for phylogenetic comparative biology; however, it ...

The ability of learning networks to generalize can be greatly enhanced by providing constraints from the task domain. This paper demonstrates how such constraints can be integrated into a backpropagation network through ...

Continuous word representations, trained on large unlabeled corpora are useful for many natural language processing tasks. Popular models that learn such representations ignore the morphology of words, by assigning a dis...

The particle swarm is an algorithm for finding optimal regions of complex search spaces through the interaction of individuals in a population of particles. This paper analyzes a particle's trajectory as it moves in disc...

I use a new technique to derive a closed-form solution for the price of a European call option on an asset with stochastic volatility. The model allows arbitrary correlation between volatility and spotasset returns. I in...

Existing strategies for econometric analysis related to macroeconomics are subject to a number of serious objections, some recently formulated, some old. These objections are summarized in this paper, and it is argued th...

Materias / palabras clave: theoertical computer science, computational complexity, quantum computing, algorithms, communication complexity; Science: Mathematics: Instruments and machines: Electronic computers. Computer science

Materias / palabras clave: materials modeling and theory, novel materials, computational methods, theoretical simulation; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of...

Materias / palabras clave: soft computing in real-world systems, computational intelligence, learning theory, probability theory, hybrid methods, rough sets; Technology: Technology (General): Industrial engineering. Management engineering: Informa...

Materias / palabras clave: literature, linguistics, language, education, literary theory, analysis; Language and Literature: Philology. Linguistics: Language. Linguistic theory. Comparative grammar; Language and Literature: Philology. Linguistics:...

Materias / palabras clave: fuzzy logic, neural networks, evolutionary and bio-inspired computation, learning theory, probability theory, hybrid methods; Technology: Technology (General): Industrial engineering. Management engineering: Information ...

Materias / palabras clave: neuroscience, data analysis, computational neuroscience, systems neuroscience, behaviour; Science

Materias / palabras clave: cognitive theoretical semantics, natural languages, lexical semantics, contrastive linguistics, linguistic engineering, multilingual corpora; Language and Literature: Philology. Linguistics: Computational linguistics. Na...

Materias / palabras clave: discrete mathematics, combinatorics, combinatorial matrix theory, combinatorial number theory, theoretical computer science, discrete and computational geometry; Science: Mathematics

Materias / palabras clave: antenna theory and practice, electromagnetic compatibility, microwave theory and techniques, computational electromagnetics, photonics, magnetic materials and technologies; Science: Physics: Electricity and magnetism

Materias / palabras clave: combinatorial group theory, computational group theory, algorithms, complexity theory, cryptology, information security; Science: Mathematics

Materias / palabras clave: translation studies, computational linguistics, sociolinguistics, corpus linguistics language studies, applied linguistics; Language and Literature: Philology. Linguistics: Computational linguistics. Natural language pro...