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Found 31 result(s)
The Basis Set Exchange (BSE) provides a web-based user interface for downloading and uploading Gaussian-type (GTO) basis sets, including effective core potentials (ECPs), from the EMSL Basis Set Library. It provides an improved user interface and capabilities over its predecessor, the EMSL Basis Set Order Form, for exploring the contents of the EMSL Basis Set Library. The popular Basis Set Order Form and underlying Basis Set Library were originally developed by Dr. David Feller and have been available from the EMSL webpages since 1994.
CERIC Data Portal allows users to consult and manage data related to experiments carried out at CERIC (Central European Research Infrastructure Consortium) partner facilities. Data made available includes scientific datasets collected during experiments, experiment proposals, samples used and publications if any. Users can search for data based on related metadata (both their own data and other peoples' public data).
The ColabFit Exchange is an online resource for the discovery, exploration and submission of datasets for data-driven interatomic potential (DDIP) development for materials science and chemistry applications. ColabFit's goal is to increase the Findability, Accessibility, Interoperability, and Reusability (FAIR) of DDIP data by providing convenient access to well-curated and standardized first-principles and experimental datasets. Content on the ColabFit Exchange is open source and freely available.
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DAIS - Digital Archive of the Serbian Academy of Sciences and Arts is a joint digital repository of the Serbian Academy of Sciences and Arts (SASA) and the research institutes under the auspices of SASA. The aim of the repository is to provide open access to publications and other research outputs resulting from the projects implemented by the SASA and its institutes. The repository uses a DSpace-based software platform developed and maintained by the Belgrade University Computer Centre (RCUB).
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More than 25 years ago FIZ Karlsruhe started depositing crystal structure data linked to publications in German journals. At that time it was irrelevant whether the deposited structures were organic or inorganic. Today FIZ Karlsruhe is responsible for storing the structure data of inorganic compounds. Organic structure data are stored by the Cambridge Crystallographic Data Center. Nowadays many publishers inform their authors that in parallel to a publication in a scientific journal, crystal structure data should also be stored in the Crystal Structure Depot at FIZ Karlsruhe. A CSD number will be assigned to the data for later reference in the publication. The data can then be ordered from the Crystal Structure Depot at FIZ Karlsruhe.
Digital Rocks is a data portal for fast storage and retrieval of images of varied porous micro-structures. It has the purpose of enhancing research resources for modeling/prediction of porous material properties in the fields of Petroleum, Civil and Environmental Engineering as well as Geology. This platform allows managing and preserving available images of porous materials and experiments performed on them, and any accompanying measurements (porosity, capillary pressure, permeability, electrical, NMR and elastic properties, etc.) required for both validation on modeling approaches and the upscaling and building of larger (hydro)geological models. Starting September 2021 we charge fees for publishing larger projects; projects < 2GB remain free: see user agreement https://www.digitalrocksportal.org/user-agreement/
The DOE Data Explorer (DDE) is an information tool to help you locate DOE's collections of data and non-text information and, at the same time, retrieve individual datasets within some of those collections. It includes collection citations prepared by the Office of Scientific and Technical Information, as well as citations for individual datasets submitted from DOE Data Centers and other organizations.
The Research Collection is ETH Zurich's publication platform. It unites the functions of a university bibliography, an open access repository and a research data repository within one platform. Researchers who are affiliated with ETH Zurich, the Swiss Federal Institute of Technology, may deposit research data from all domains. They can publish data as a standalone publication, publish it as supplementary material for an article, dissertation or another text, share it with colleagues or a research group, or deposit it for archiving purposes. Research-data-specific features include flexible access rights settings, DOI registration and a DOI preview workflow, content previews for zip- and tar-containers, as well as download statistics and altmetrics for published data. All data uploaded to the Research Collection are also transferred to the ETH Data Archive, ETH Zurich’s long-term archive.
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The most comprehensive database on fully determined inorganic crystal structures • Full structural data: cell parameters, atom positions for all entries, displacement parameters • Full bibliographic data: publication title, journal reference(s), author names • Full structure description: Structural formula, compositions, ANX formulae, structure types • High-quality data: extensive data evaluation and correction by senior experts • Web and PC based software solutions, data updated twice a year • 25+ years of serving the scientific community
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The Jülich Observatory for Cloud Evolution (JOYCE) operates ground-based active and passive remote sensing instruments for cloud and precipitation observations. ​JOYCE is based on a long-term successful collaboration between the University of Cologne, the University of Bonn and the Research Centre Jülich. Since 2017 JOYCE is transformed into a Core Facility (JOYCE - CF) funded by the DFG (Deutsche Forschungsgemeinschaft) with the aim of high quality radar and passive microwave observations of the atmosphere. JOYCE will serve as a reference center for best practices in data acquisition, storage and distribution. JOYCE instrumentation aims to observe spatial and temporal variability of atmospheric water cycle variables.
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Kadi4Mat instance for use at the Karlsruhe Institute of Technology (KIT) and for cooperations, including the Cluster of Competence for Solid-state Batteries (FestBatt), the Battery Competence Cluster Analytics/Quality Assurance (AQua), and more. Kadi4Mat is the Karlsruhe Data Infrastructure for Materials Science, an open source software for managing research data. It is being developed as part of several research projects at the Institute for Applied Materials - Microstructure Modelling and Simulation (IAM-MMS) of the Karlsruhe Institute of Technology (KIT). The goal of this project is to combine the ability to manage and exchange data, the repository , with the possibility to analyze, visualize and transform said data, the electronic lab notebook (ELN). Kadi4Mat supports a close cooperation between experimenters, theorists and simulators, especially in materials science, to enable the acquisition of new knowledge and the development of novel materials. This is made possible by employing a modular and generic architecture, which allows to cover the specific needs of different scientists, each utilizing unique workflows. At the same time, this opens up the possibility of covering other research disciplines as well.
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Over 1000 detailed, fully referenced and verified datasets for steels, aluminium and titanium alloys, cast irons/steels, weld metals. Materials can be searched according to a number of different criteria. Initial search results are presented in the form of a table from which they can be selected for presentation in form of detailed report or for comparison overview (up to 5 materials). In addition to material information and values of properties/parameters, images of microstructure, specimens and those of stress-strain, stress- and strain-life curves (if available) can be reviewed as well.
FAIR & long-term storage of research data from computational materials science, or from experimental materials science that is of relevance to simulations. Complementary tools available to explore the full provenance of the calculations and to perform simulations or data analytics in the cloud.
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MDR is a data repository to collect and store papers, presentation materials, and related materials data to accumulate and release them in a form suitable for the promotion of materials research and materials informatics. Users can search the documents and the data from information (metadata) such as sample, instrument, method, and from the full text of the deposited data, to browse and download them freely. User registration is not required and there is no charge for use.
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National Materials Corrosion and Protection Scientific Data Center, the competent department is the Ministry of Education, the supporting unit is the University of Science and Technology Beijing, is a long-standing base for material environmental corrosion data accumulation and experimental research, an authoritative institution for material corrosion testing, testing and analysis, as well as a platform for basic scientific research and personnel training in material corrosion. At present, the integration of the completion of the national materials corrosion and protection experimental research base composed of 32 national test stations and materials corrosion platform center, the construction of the national materials corrosion and environmental data science center, the center fully use of modern information technology, effective integration of scientific and technological resources, for scientific research, technology research and development, enterprise innovation and major engineering construction to provide information technology, network technology support services.
OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.
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QSAR DataBank (QsarDB) is repository for (Quantitative) Structure-Activity Relationships ((Q)SAR) data and models. It also provides open domain-specific digital data exchange standards and associated tools that enable research groups, project teams and institutions to share and represent predictive in silico models.