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Wireless communication has penetrated into all fields of technology, especially in mobility, where wireless transactions are gaining importance with improvements in standards like 3G and 4G. There are many technologies that support the…
A nonlocal phase-field crystal (NPFC) model is presented as a nonlocal counterpart of the local phase-field crystal (LPFC) model and a special case of the structural PFC (XPFC) derived from classical field theory for crystal growth and…
Van der Waals (vdW) materials are becoming increasingly popular in scientific and industrial applications because of their unique mixture of record electronic, optical, and mechanical properties. However, nanostructuring of vdW materials is…
The GFF3 format is a common, flexible tab-delimited format representing the structure and function of genes or other mapped features (https://github.com/The-Sequence-Ontology/Specifications/blob/master/gff3.md). However, with increasing…
Evolving user requirements presents a considerable software engineering challenge, all the more so in an environment where data will be stored for a very long time, and must remain usable as the system specification evolves around it.…
Multi-dimensional Fourier transforms are key mathematical building blocks that appear in a wide range of applications from materials science, physics, chemistry and even machine learning. Over the past years, a multitude of software…
Within an increasing number of domains an important emerging need is the ability for technically naive users to compose computational elements into novel configurations. Examples include astronomers who create new analysis pipelines to…
One of the most promising techniques used for studying the electronic properties of materials is based on Density Functional Theory (DFT) approach and its extensions. DFT has been widely applied in traditional solid state physics problems…
Decision making often requires information that must be Provided with the rich data format. Addressing these new requirements appropriately makes it necessary for government agencies to orchestrate large amounts of information from…
Wearable devices are a new form of mobile computer system that provides exclusive and user-personalized services. Wearable devices bring new issues and challenges to computer science and technology. This paper summarizes the development…
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, reliable predictions are unlikely at any…
Data centres that use consumer-grade disks drives and distributed peer-to-peer systems are unreliable environments to archive data without enough redundancy. Most redundancy schemes are not completely effective for providing high…
One of the breakthrough areas of physical science over the past decade has been research in the field of nanostructured materials of various substances, almost all of the properties of which differ sharply from the properties of macroscopic…
The volume of data generated by modern astronomical telescopes is extremely large and rapidly growing. However, current high-performance data processing architectures/frameworks are not well suited for astronomers because of their…
Carbon nanotubes bridge the molecular and crystalline quantum worlds, and their extraordinary electronic, mechanical and optical properties have attracted enormous attention from a broad scientific community. We review the basic principles…
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery)…
The web of data has brought forth the need to preserve and sustain evolving information within linked datasets; however, a basic requirement of data preservation is the maintenance of the datasets' structural characteristics as well. As…
The adoption of heterogeneous computing systems based on diverse architectures to achieve exascale computing power has worsened the performance portability problem of scientific applications that were designed to run on these platforms. To…
We specify a file-oriented data format suitable for parallel, partition-independent disk I/O. Here, a partition refers to a disjoint and ordered distribution of the data elements between one or more processes. The format is designed such…
Quantum networks must classically exchange complex metadata between devices in order to carry out information for protocols such as teleportation, super-dense coding, and quantum key distribution. Demonstrating the integration of these new…