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QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, a...

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...

Abstract Array programming provides a powerful, compact and expressive syntax for accessing, manipulating and operating on data in vectors, matrices and higher-dimensional arrays. NumPy is the primary array programming l...

BACKGROUND: A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de fa...

BACKGROUND: the analysis of microbial communities through dna sequencing brings many challenges: the integration of different types of data with methods from ecology, genetics, phylogenetics, multivariate statistics, vis...

The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal-organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be th...

The Nature of Viscoelastic Behavior. Illustrations of Viscoelastic Behavior of Polymeric Systems. Exact Interrelations among the Viscoelastic Functions. Approximate Interrelations among the Linear Viscoelastic Functions....

The Open Visualization Tool (OVITO) is a new 3D visualization software designed for post-processing atomistic data obtained from molecular dynamics or Monte Carlo simulations. Unique analysis, editing and animations func...

Introduction - Norman K Denzin and Yvonna S Lincoln The Discipline and Practice of Qualitative Research PART ONE: LOCATING THE FIELD Qualitative Methods - Arthur J Vidich and Stanford M Lyman Their History in Sociology a...

Materias / palabras clave: materials, nanostructures, biomaterials, smart materials, metamaterials, soft matter; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of material...

Materias / palabras clave: functional materials, semiconductor materials, metal materials, ceramics, soft materials, composites; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mecha...

Materias / palabras clave: information technology, software engineering, artificial intelligence, computer science, informatics, computer networks; Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer enginee...

Materias / palabras clave: modern engineering materials, condensed and soft matter mechanics, micro- and nano-mechanics of materials, material instabilities and fracture; Technology: Mechanical engineering and machinery

Materias / palabras clave: soft matter, nanomaterials, thin films surfaces & interfaces, inorganic structures, biomaterials; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics...

Materias / palabras clave: materials by design, data mining, materials data generation, computational studies, materials discovery; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Me...

Materias / palabras clave: deformation, flow, soft matter, complex liquids, materials, instrumentation; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials

Materias / palabras clave: renewable energy, machine learning, energy system, energy materials, sustainable development, electrical engineering; Technology: Electrical engineering. Electronics. Nuclear engineering; Science: Mathematics: Instrument...

Materias / palabras clave: macromolecules, supramolecular chemistry, assembly, bio-inspired surfaces, soft-matter, hybrid materials; Science: Science (General)

Materias / palabras clave: colloids, interface science, functional materials, surface science, nanomedicine, soft matter; Science: Chemistry: Physical and theoretical chemistry; Technology: Chemical technology

Materias / palabras clave: quantum information, quantum science, quantum technology, quantum computing, quantum communication, quantum materials; Science: Physics; Science: Mathematics: Instruments and machines: Electronic computers. Computer scie...