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The experiences of recent years have tested all public sectors, and society has faced challenges we would not have foreseen. This has transformed our society into one that is more global, resilient and sustainable, and w...

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...

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: The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related are...

The teaching of qualitative analysis in the social sciences is rarely undertaken in a structured way. This handbook is designed to remedy that and to present students and researchers with a systematic method for interpre...

Subjects / keywords: smart materials, materials data science, construction and building materials, smart building, structural health monitoring, smart devices and application; Science; Technology: Electrical engineering. Electronics. Nuclear...

Accelerating the discovery of advanced materials is essential for human welfare and sustainable, clean energy. In this paper, we introduce the Materials Project (www.materialsproject.org), a core program of the Materials...

Subjects / keywords: Valence (chemistry); Crystal structure; Materials science; Crystallography; Database; Chemical physics; Chemistry; Computer science; Organic chemistry

Subjects / keywords: Thermal energy storage; Latent heat; Energy storage; Process engineering; Phase change; Phase-change material; Materials science; Isothermal process; Thermal; Spacecraft; Thermal energy; Computer data storage

The program Mercury , developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called the Materials Module...

High entropy alloys (HEAs) are barely 12 years old. The field has stimulated new ideas and has inspired the exploration of the vast composition space offered by multi-principal element alloys (MPEAs). Here we present a c...

Subjects / keywords: Terahertz radiation; Computer science; Terahertz gap; Enhanced Data Rates for GSM Evolution; Set (abstract data type); Telecommunications; Terahertz metamaterials; Materials science; Optoelectronics; Physics; Optics; Far...

Subjects / keywords: Mean squared error; Calibration; Normalization (sociology); Computer science; Range (aeronautics); Context (archaeology); Measure (data warehouse); Statistics; Data mining; Mathematics; Materials science; Sociology

Extended-connectivity fingerprints (ECFPs) are a novel class of topological fingerprints for molecular characterization. Historically, topological fingerprints were developed for substructure and similarity searching. EC...

Changes in AA-GSH cycle activity following Botrytis cinerea infection were studied in tomato whole-leaf extracts as well as in chloroplasts, mitochondria, and peroxisomes. The oxidative effect of infection affected all c...

Subjects / keywords: Sensitivity (control systems); Absorption (acoustics); Wavelength; Optics; Absorption edge; Enhanced Data Rates for GSM Evolution; Materials science; Physics; Atomic physics; Optoelectronics; Telecommunications; Computer...

Subjects / keywords: Ingenuity; Microfluidics; Commercialization; Nanotechnology; Field (mathematics); Computer science; Data science; Engineering ethics; Biochemical engineering; Engineering; Epistemology; Materials science

This paper presents an overview of the field of recommender systems and describes the current generation of recommendation methods that are usually classified into the following three main categories: content-based, coll...

Subjects / keywords: materials design, additive manufacturing, materials processing, energy materials, alloys, data-driven materials science; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and ...

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

Subjects / keywords: magnetic fields, spintronics, physics and engineering of magnetism, magnetic materials, waves and electromagnetics, magnetic data storage; Science: Geology: Dynamic and structural geology

Subjects / keywords: sensors, sensor systems, sensor data processing, chatacterization of sensors, metrology, measurement science; Technology: Electrical engineering. Electronics. Nuclear engineering: Electric apparatus and materials. Electr...

Subjects / keywords: natural sciences, materials science, energy engineering, data science, pharmacology, marine science; Technology