Related papers: Developments and applications of the OPTIMADE API …
Modern web applications make extensive use of API calls to update the UI state in response to user events or server-side changes. For such applications, API-level testing can play an important role, in-between unit-level testing and…
The expansion of programmatically-accessible materials data has cultivated opportunities for data-driven approaches. Highly-automated frameworks like AFLOW not only manage the generation, storage, and dissemination of materials data, but…
Integrable partial differential equation (PDE) systems are of great interest in natural science, but are exceedingly rare and difficult to discover. To solve this, we introduce OptPDE, a first-of-its-kind machine learning approach that…
For decades, mainframe systems have been vital in enterprise computing, supporting essential applications across industries like banking, retail, and healthcare. To harness these legacy applications and facilitate their reuse, there is…
Artificial Intelligence (AI), especially AI agents, is increasingly being applied to chemistry, healthcare, and manufacturing to enhance productivity. In this review, we discuss the progress of AI and agentic AI in areas related to, and…
With the widespread use and adoption of mobile platforms like Android a new software quality concern has emerged -- energy consumption. However, developing energy-efficient software and applications requires knowledge and likewise proper…
Advancements of both computational and experimental tools have recently led to significant progress in the development of new advanced and functional materials, paralleled by a quick growth of the overall amount of data and information on…
Traditionally, software APIs (application programming interfaces) have been viewed from a technical perspective, as a means to separate implementation from functional calls, and as a way to define a contract of software functionality. The…
Data-driven artificial intelligence (AI) approaches are fundamentally transforming the discovery of new materials. Despite the unprecedented availability of materials data in the scientific literature, much of this information remains…
High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…
Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…
We introduce atomicrex, an open-source code for constructing interatomic potentials as well as more general types of atomic-scale models. Such effective models are required to simulate extended materials structures comprising many thousands…
In this article, we focus on the importance of open research information as the foundation for transparent and responsible research assessment and discovery of research outputs. We introduce work in which we support the open research…
Nowadays, invoking third party code increasingly involves calling web services via their web APIs, as opposed to the more traditional scenario of downloading a library and invoking the library's API. However, there are also new challenges…
AI-powered autonomous experimentation (AI/AE) can accelerate materials discovery but its effectiveness for electronic materials is hindered by data scarcity from lengthy and complex design-fabricate-test-analyze cycles. Unlike experienced…
Successful materials innovations can transform society. However, materials research often involves long timelines and low success probabilities, dissuading investors who have expectations of shorter times from bench to business. A…
Background: Good API documentation facilities the development process, improving productivity and quality. While the topic of API documentation quality has been of interest for the last two decades, there have been few studies to map the…
A full-fledged data exploration system must combine different access modalities with a powerful concept of guiding the user in the exploration process, by being reactive and anticipative both for data discovery and for data linking. Such…
In the last few years, several initiatives have been starting to offer access to research outputs data and metadata in an open fashion. The platforms developed by those initiatives are opening up scientific production to the wider public…
Recent advancements in Artificial Intelligence (AI), particularly with Large Language Models (LLMs), have led to significant progress in narrow tasks such as image classification, language translation, coding, and writing. However, these…