Related papers: OPTIMADE, an API for exchanging materials data
The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…
The purpose of this study is to introduce new design-criteria for next-generation hyperparameter optimization software. The criteria we propose include (1) define-by-run API that allows users to construct the parameter search space…
The Open Porous Media (OPM) initiative is a community effort that encourages open innovation and reproducible research for simulation of porous media processes. OPM coordinates collaborative software development, maintains and distributes…
Incorporating Machine Learning (ML) into material property prediction has become a crucial step in accelerating materials discovery. A key challenge is the severe lack of training data, as many properties are too complicated to calculate…
Today's needs for monitoring and control of different devices in organizations require an Internet of Things (IoT) platform that can integrate heterogeneous elements provided by multiple vendors and using different protocols, data formats…
Access to astronomical data through archives and VO is essential but does not solve all problems. Availability of appropriate software for analyzing the data is often equally important for the efficiency with which a researcher can publish…
As scientific discovery becomes increasingly data-driven, software platforms are needed to efficiently organize and disseminate data from disparate sources. This is certainly the case in the field of materials science. For example,…
The representation of workflows and processes is essential in materials science engineering, where experimental and computational reproducibility depend on structured and semantically coherent process models. Although numerous ontologies…
Multimodal conversational agents are highly desirable because they offer natural and human-like interaction. However, there is a lack of comprehensive end-to-end solutions to support collaborative development and benchmarking. While…
We present a new programming paradigm which can be useful, in particular, for implementing window interfaces and parallel algorithms. This paradigm allows a user to define operators which can contain nested operators. The new paradigm is…
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…
This paper introduces the design and implementation of PyOptInterface, a modeling language for mathematical optimization embedded in Python programming language. PyOptInterface uses lightweight and compact data structure to bridge…
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic…
The interfacial structures and interactions of two-dimensional (2D) materials on solid substrates are of fundamental importance for the fabrication and application of 2D materials. However, selection of a suitable solid substrate to grow 2D…
The paper tries to point out the benefits that can be derived from research advances in the implementation of concepts such as ambient intelligence (AmI) and ubiquitous or pervasive computing for promoting Universal Access (UA) to the…
Application Programming Interfaces (API) are exposed to developers in order to reuse software libraries. API directives are natural-language statements in API documentation that make developers aware of constraints and guidelines related to…
Modern software development requires a large investment in learning application programming interfaces (APIs). Recent research found that the learning materials themselves are often inadequate: developers struggle to find answers beyond…
Supply chain operations traditionally involve a variety of complex decision making problems. Over the last few decades, supply chains greatly benefited from advances in computation, which allowed the transition from manual processing to…
Recent work on database application development platforms has sought to include a declarative formulation of a conceptual data model in the application code, using annotations or attributes. Some recent work has used metadata to include the…
The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accelerate materials…