Related papers: ChemCloud: Chemical e-Science Information Cloud
Despite improved digital access to scholarly knowledge in recent decades, scholarly communication remains exclusively document-based. In this form, scholarly knowledge is hard to process automatically. In this paper, we present the first…
The development of materials science is undergoing a shift from empirical approaches to data-driven and algorithm-oriented research paradigm. The state-of-the-art platforms are confined to inorganic crystals, with limited chemical space,…
Current search interfaces of digital libraries are not suitable to satisfy complex or convoluted information needs directly, when it comes to cases such as "Find authors who only recently started working on a topic". They might offer…
We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several…
Data commons collate data with cloud computing infrastructure and commonly used software services, tools and applications to create biomedical resources for the large-scale management, analysis, harmonization, and sharing of biomedical…
A plethora of scholarly knowledge is being published on distributed scholarly infrastructures. Querying a single infrastructure is no longer sufficient for researchers to satisfy information needs. We present a GraphQL-based federated query…
Scientific workflow is a powerful tool to streamline and organize computational steps of scientific application. This paper presents Emerald, a system that adds sophisticated cloud offloading capabilities to scientific workflows. Emerald…
The NSF Workshop in Quantum Information and Computation for Chemistry assembled experts from directly quantum-oriented fields such as algorithms, chemistry, machine learning, optics, simulation, and metrology, as well as experts in related…
We present SemOpenAlex, an extensive RDF knowledge graph that contains over 26 billion triples about scientific publications and their associated entities, such as authors, institutions, journals, and concepts. SemOpenAlex is licensed under…
Categorical Query Language is an open-source query and data integration scripting language that can be applied to common challenges in the field of computational science. We discuss how the structure-preserving nature of CQL data migrations…
Within the context of the nascent e-Science infrastructure in Venezuela, we describe several web-based scientific applications developed at the Centro Nacional de Calculo Cientifico Universidad de Los Andes (CeCalCULA), Merida, and at the…
nanoHUB is an open cyber platform for online simulation, data, and education that seeks to make scientific software and associated data widely available and useful. This paper describes recent developments in our simulation infrastructure…
The QUBES platform was conceived as a "science education gateway" and designed to accelerate innovation in undergraduate STEM education. The technical infrastructure was purpose built to provide more equitable access to professional…
In a decentralized household energy system comprised of various devices such as home appliances, electric vehicles, and solar panels, end-users are able to dig deeper into the system's details and further achieve energy sustainability if…
Cloud computing technology is an emerging new computing paradigm for delivering computing services. Although it still in its early stage, it has changed the way how many applications are developed and accessed. This computing approach…
The increasing volume of scholarly publications requires advanced tools for efficient knowledge discovery and management. This paper introduces ongoing work on a system using Large Language Models (LLMs) for the semantic extraction of key…
We present the first full description of Media Cloud, an open source platform based on crawling hyperlink structure in operation for over 10 years, that for many uses will be the best way to collect data for studying the media ecosystem on…
The most exciting challenge for CRIS is to create a service for research information which should be wide-spread, distributed and actual like Google, but at the same time structured, trusted, with a complex search and navigation similar to…
The integration of large-scale chemical databases represents a critical bottleneck in modern cheminformatics research, particularly for machine learning applications requiring high-quality, multi-source validated datasets. This paper…
The Internet contains a wealth of public opinion on food safety, including views on food adulteration, food-borne diseases, agricultural pollution, irregular food distribution, and food production issues. In order to systematically collect…