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Found 9 result(s)

The Sand Atlas

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The Sand Atlas is an effort to collate data describing the shape and morphology of a wide range of sand-sized particles. This data can be viewed online and downloaded for free.

ColabFit Exchange

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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.

OpenKIM

Knowledgebase of Interatomic Models

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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.

Materials Cloud Archive

Materials Cloud

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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.

NEA Data Bank Computer Program Services

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The Data Bank operates a computer program service related to nuclear energy applications. The software library collects programs, compiles and verifies them in an appropriate computer environment, ensuring that the computer program package is complete and adequately documented. This collection of material contains more than 2000 documented packages and group cross-section data sets. We distribute these codes on CD-ROM, DVD and via electronic transfer to about 900 nominated NEA Data Bank establishments (see the rules for requesters). Standard software verification procedures are used following an ANSI/ANS standard.

MPDS

Materials Platform for Data Science

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Online materials database (known as PAULING FILE project) with nearly 2 million entries: physical properties, crystal structures, phase diagrams, available via API, ready for modern data-intensive applications. The source of these entries are about 0.5M peer-reviewed publications in materials science, processed during the last 30 years by an international team of PhD editors. The results are presented online with a quick search interface. The basic access is provided for free.

Oak Ridge Leadership Computing Facility Constellation Portal

OLCF

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Constellation is a digital object identifier (DOI) based science network for supercomputing data. Constellation makes it possible for OLCF researchers to obtain DOIs for large data collections by tying them together with the associated resources and processes that went into the production of the data (e.g., jobs, collaborators, projects), using a scalable database. It also allows the annotation of the scientific conduct with rich metadata, and enables the cataloging and publishing of the artifacts for open access, aiding in scalable data discovery. OLCF users can use the DOI service to publish datasets even before the publication of the paper, and retain key data even after project expiration. From a center standpoint, DOIs enable the stewardship of data, and better management of the scratch and archival storage.

WURM Project

a database of computed physical properties of minerals

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The WURM project is a database of computed Raman and infrared spectra and other physical properties for minerals. The calculations are performed within the framework of the density-functional theory and the density-functional perturbation theory. The database is freely available for teaching and research purposes and is presented in a web-based format, hosted on the https://www.wurm.info/ web site. It provides the crystal structure, the parameters of the calculations, the dielectric properties, the Raman spectra with both peak positions and intensities and the infrared spectra with peak positions for minerals. It shows the atomic displacement patterns for all the zone-center vibrational modes and the associated Raman tensors. The web presentation is user friendly and highly oriented toward the end user, with a strong educational component in mind. A set of visualization tools ensures the observation of the crystal structure, the vibrational pattern, and the different spectra. Further developments include elastic and optical properties of minerals.

European XFEL Data Portal

European XFEL Metadata Catalogue

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European XFEL Data Portal is provided by myMdC, allowing users to access the metadata of scientific data taken at the European XFEL facility. Datasets are linked to experiment proposals, annotated by data collection types, samples and are assigned DOIs to be referenced in publications. myMdC helps data management activities and allows users to find open and own proposals data based on the metadata.