Related papers: Specification of an extensible and portable file f…
Information and data exchange is an important aspect of scientific progress. In computational materials science, a prerequisite for smooth data exchange is standardization, which means using agreed conventions for, e.g., units, zero base…
We study the formalization of a collection of documents created for a Software Engineering project from an MKM perspective. We analyze how document and collection markup formats can cope with an open-ended, multi-dimensional space of…
An open source software package for modelling thermal neutron transport is presented. The code facilitates Monte Carlo-based transport simulations and focuses in the initial release on interactions in both mosaic single crystals as well as…
TextFormats is a software system for efficient and user-friendly creation of text format specifications, accessible from multiple programming languages (C/C++, Python, Nim) and the Unix command line. To work with a format, a specification…
The extensible N-Dimensional Data Format (NDF) was designed and developed in the late 1980s to provide a data model suitable for use in a variety of astronomy data processing applications supported by the UK Starlink Project. Starlink…
The ENDF-6 format, widely used worldwide for storing and disseminating nuclear data, is managed by the Cross Sections Evaluation Working Group (CSEWG) and fully documented in the ENDF-6 formats manual. This manual employs a combination of…
Electrospinning is a versatile nanofabrication technique whose outcomes emerge from a complex, high-dimensional interplay between solution properties, processing parameters, and environmental conditions. Optimizing this parameter space for…
Materials science is becoming increasingly more reliant on digital data to facilitate progress in the field. Due to a large diversity in its scope, breadth, and depth, organizing the data in a standard way to optimize the speed and creative…
We propose a new file format named "H5MD" for storing molecular simulation data, such as trajectories of particle positions and velocities, along with thermodynamic observables that are monitored during the course of the simulation. H5MD…
The purpose of this document is to specify the basic data types required for storing electrophysiology and optical imaging data to facilitate computer-based neuroscience studies and data sharing. These requirements are being developed…
As a class of emerging post-CMOS technologies, Field-coupled Nanocomputing (FCN) devices promise computation with tremendously low energy dissipation. Even though ground breaking advances in several physical implementations like Quantum-dot…
Creating a highly parallel and flexible discrete element software requires an interdisciplinary approach, where expertise from different disciplines is combined. On the one hand domain specialists provide interaction models between…
DNA nanostructures with programmable shape and interactions can be used as building blocks for the self-assembly of crystalline materials with prescribed nanoscale features, holding a vast technological potential. Structural rigidity and…
TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of providing a reliable and efficient method of storing and…
Extended defects in crystals, such as dislocations, stacking faults and grain boundaries, play a crucial role in determining a wide variety of materials properties. Extended defects can also lead to novel electronic properties in…
Distributed File Systems (DFS) have emerged as sophisticated solutions for efficient file storage and management across interconnected computer nodes. The main objective of DFS is to achieve flexible, scalable, and resilient file storage…
When working with astronomical data, metadata is also important. A general-purpose file format for transmission, processing and archiving large datasets should facilitate, among other things, both efficient processing of bulk data and…
Nowadays, many decision support applications need to exploit data that are not only numerical or symbolic, but also multimedia, multistructure, multisource, multimodal, and/or multiversion. We term such data complex data. Managing and…
The growing complexity of software systems and the influence of software-supported decisions in our society awoke the need for software that is transparent, accountable, and trustworthy. Explainability has been identified as a means to…
The complexities of today's materials simulations demand computer codes which are both powerful and highly flexible. A researcher should be able to readily choose different geometries, different materials and different algorithms without…