Related papers: Developments and applications of the OPTIMADE API …
Advanced materials and their applications have become a key field of research, and it looks like this trend is not going to change soon. For that reason, the need for systematic and efficient methods for organizing knowledge in the field…
The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…
Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…
Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialized systems for information and knowledge management have been created in…
With the growing success of the social Web, most Web developers have to interact with at least one social Web platform, which implies studying the related API specifications. These are often only informally described, may contain errors,…
The past decade has seen rapid growth in the number of experimentally realized two-dimensional (2D) materials with diverse chemical and physical properties. However, information on their crystal structure, synthesis routes, and measured or…
To fill the gap between accurate (and expensive) ab initio calculations and efficient atomistic simulations based on empirical interatomic potentials, a new class of descriptions of atomic interactions has emerged and been widely applied;…
This paper explores the characteristics of DataCite to determine its possibilities and potential as a new bibliometric data source to analyze the scholarly production of open data. Open science and the increasing data sharing requirements…
Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…
The Open Archive Initiative Protocol for Metadata Handling (OAI-PMHiii) is a standard that is seeing increased use as a means for exchanging structured metadata. OAI-PMH implementations must support Dublin Core as a metadata standard, with…
Summary: The advent of Web-based tools that assist in the analysis and visualization of macromolecules require application programming interfaces (APIs) designed for modern web frameworks. To this end, we have developed a Node.js module…
The FAIR principles have transformed how computational data and workflows are shared in materials research, yet existing repositories can only serve pre-computed entries -- broad coverage is perpetually incomplete and cannot adapt to new…
The discovery of new materials as well as the determination of a vast set of materials properties for science and technology is a fast growing field of research, with contributions from many groups worldwide. Materials data from individual…
Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…
Millimeter-Wave (mmWave) radar sensors are gaining popularity for their robust sensing and increasing imaging capabilities. However, current radar signal processing is hardware specific, which makes it impossible to build sensor agnostic…
Increasingly common open data and open application programming interfaces (APIs) together with the progress of data science -- such as artificial intelligence (AI) and especially machine learning (ML) -- create opportunities to build novel…
Identifying novel functional materials with desired key properties is an important part of bridging the gap between fundamental research and technological advancement. In this context, high-throughput calculations combined with data-mining…
This paper explores the use of optimization to design multifunctional metamaterials, and proposes a methodology for constructing a design envelope of potential properties. A thermal-mechanical metamaterial, proposed by Ai and Gao (2017), is…
We introduce FathomGPT, an open source system for the interactive investigation of ocean science data via a natural language interface. FathomGPT was developed in close collaboration with marine scientists to enable researchers to explore…
Optunity is a free software package dedicated to hyperparameter optimization. It contains various types of solvers, ranging from undirected methods to direct search, particle swarm and evolutionary optimization. The design focuses on ease…