ZENODO builds and operates a simple and innovative service that enables researchers, scientists, EU projects and institutions to share and showcase multidisciplinary research results (data and publications) that are not part of the existing institutional or subject-based repositories of the research communities. ZENODO enables researchers, scientists, EU projects and institutions to: easily share the long tail of small research results in a wide variety of formats including text, spreadsheets, audio, video, and images across all fields of science. display their research results and get credited by making the research results citable and integrate them into existing reporting lines to funding agencies like the European Commission. easily access and reuse shared research results.
The Open Science Framework (OSF) is part network of research materials, part version control system, and part collaboration software. The purpose of the software is to support the scientist's workflow and help increase the alignment between scientific values and scientific practices. Document and archive studies. Move the organization and management of study materials from the desktop into the cloud. Labs can organize, share, and archive study materials among team members. Web-based project management reduces the likelihood of losing study materials due to computer malfunction, changing personnel, or just forgetting where you put the damn thing. Share and find materials. With a click, make study materials public so that other researchers can find, use and cite them. Find materials by other researchers to avoid reinventing something that already exists. Detail individual contribution. Assign citable, contributor credit to any research material - tools, analysis scripts, methods, measures, data. Increase transparency. Make as much of the scientific workflow public as desired - as it is developed or after publication of reports. Find public projects here. Registration. Registering materials can certify what was done in advance of data analysis, or confirm the exact state of the project at important points of the lifecycle such as manuscript submission or at the onset of data collection. Discover public registrations here. Manage scientific workflow. A structured, flexible system can provide efficiency gain to workflow and clarity to project objectives, as pictured.
the all in one repository a home for papers, FAIR data and non-traditional research outputs that is easy to use and ready now
OSTI.GOV is the primary search tool for DOE science, technology, and engineering research and development results and the organizational hub for information about the DOE Office of Scientific and Technical Information. It consolidates OSTI's home page and our now retired primary search tool SciTech Connect. OSTI.GOV makes discoverable over 75 years of research results from DOE and its predecessor agencies. Research results include journal articles/accepted manuscripts and related metadata; technical reports; scientific research datasets and collections; scientific software; patents; conference and workshop papers; books and theses; and multimedia. OSTI.GOV contains over 3 million records, including citations to 1.5 million journal articles, 1 million of which have digital object identifiers (DOIs) linking to full-text articles on publishers' websites. OSTI.GOV provides access to this DOE STI by offering numerous easy-to-use search capabilities and customization options; and for the DOE community, additional citation information is available to help researchers evaluate article impact and find related research.
nanoHUB.org is the premier place for computational nanotechnology research, education, and collaboration. Our site hosts a rapidly growing collection of Simulation Programs for nanoscale phenomena that run in the cloud and are accessible through a web browser. In addition to simulation devices, nanoHUB provides Online Presentations, Courses, Learning Modules, Podcasts, Animations, Teaching Materials, and more. These resources help users learn about our simulation programs and about nanotechnology in general. Our site offers researchers a venue to explore, collaborate, and publish content, as well. Much of these collaborative efforts occur via Workspaces and User groups.
ChemSpider is a free chemical structure database providing fast access to over 58 million structures, properties and associated information. By integrating and linking compounds from more than 400 data sources, ChemSpider enables researchers to discover the most comprehensive view of freely available chemical data from a single online search. It is owned by the Royal Society of Chemistry. ChemSpider builds on the collected sources by adding additional properties, related information and links back to original data sources. ChemSpider offers text and structure searching to find compounds of interest and provides unique services to improve this data by curation and annotation and to integrate it with users’ applications.
Dryad is an open data publishing platform and a community committed to the open availability and routine re-use of all research data. We publish data in any format and any discipline. All Dryad data undergoes a curation process and is published under a CC0 waiver to promote reuse.
This comprehensive database of optical constants was initiated and has been maintained by Mikhail Polyanskiy since 2008. It is a compilation of data from publicly available sources such as scientific journal articles and material datasheets published by manufacturers. Numerous researchers have contributed to the refractiveindex.info database by providing numerical data, reporting bugs, and suggesting improvements.
Establish a research data management solution for your community. Federate with a growing list of Dataverse repositories worldwide for increased discoverability of your community’s data. Participate in the drive to set norms for sharing, preserving, citing, exploring, and analyzing research data.
SpringerMaterials provides curated data and advanced functionalities to support research in materials science, physics, chemistry, engineering, and other related fields.
Including data and software from CrystalEye is this a open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. At present, this is the most comprehensive open resource for small molecule structures, freely available to all scientists in Lithuania and worldwide. Including data and software from CrystalEye, developed by Nick Day at the department of Chemistry, the University of Cambridge under supervision of Peter Murray-Rust.
The Citrine platform is an integrated suite of software products and services that help companies capture what they know, use artificial intelligence to generate new insights, and share those insights to create value.
The Materials Project produces one of the world's foremost databases of computed information about inorganic, crystalline materials, along with providing powerful web-based apps to help analyze this information to help the design of novel materials. Access is provided free-of-charge with an API available and under a permissive license.
Welcome to AFLOW, a globally available database of material compounds.
The OQMD is a database of DFT calculated thermodynamic and structural properties of 1,226,781 materials, created in Chris Wolverton's group at Northwestern University.
Citrination is the premier open database and analytics platform for the world's material and chemical information. Here you can find tabulated materials property data, that users have contributed or Citrine has automatically extracted from literature.
Our mission is to provide free, universal access to all relevant data generated from projects funded by DOE and supporting partners, to protect DOE's investment in research and development through proper data management and the open transfer of knowledge, to fuel innovation, reduce duplication of effort, and promote scientific discovery in the energy sector. To accomplish this, OEDI follows FAIR (Findable, Accessible, Interoperable, Reusable) and FARR (FAIR, AI Readiness & Reproducibility) guiding principles. Data on OEDI is discoverable, free to use and access, and standardized to increase its utility. OEDI metadata is machine-readable, universally accessible, and ready for AI and machine learning applications. For information about how OEDI provides universal access to big data see OEDI Data Lakes.
NOMAD is a free web service that allows you to share your data or use comprehensive data provided by others. You can use NOMAD to organize, analyze, share, and publish your materials science data, as well as explore, download, and analyze the data of your colleagues. NOMAD is not only about sharing files, it is about sharing data and making data FAIR. All data in NOMAD are organized in well-defined structures described by a formal schema.
The American Society of Testing and Materials - Standards (ASTM Standards) provides an online repository of all ASTM standards, which are used worldwide to improve product quality, enhance safety and facilitate trade. These standards are accessible via a subscription model or can be individually purchased.
Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing the results of over one million x-ray and neutron diffraction analyses this unique database of accurate 3D structures has become an essential resource to scientists around the world. The CSD records bibliographic, chemical and crystallographic information for:organic molecules, metal-organic compounds whose 3D structures have been determined using X-ray diffraction, neutron diffraction. The CSD records results of: single crystal studies, powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD. The CSD includes crystal structure data arising from: publications in the open literature and Private Communications to the CSD (via direct data deposition). The CSD contains directly deposited data that are not available anywhere else, known as CSD Communications.
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/
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 Informatics cloud platform is designed to accelerate the development of materials-based products by leveraging materials data and AI, empowering researchers and organizations to achieve Lean R&D. In addition to its innovative capabilities, the platform also supports and enhances the core functionalities of traditional lab data systems such as LIMS and ELN. Below, we describe the four complementary pillars that make up this comprehensive solution.
The market-leading Ansys Granta products have been developed over 25 years to enable you to capture, safeguard and capitalize on your organization’s Material Intelligence. Ansys helps businesses digitalize their company’s materials knowledge, choose the right materials for their products, and provide resources for materials education.
The MedeA software package is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property prediction modules, experimental databases, structure builders and analysis tools, all in one user-friendly environment.
The National Institute of Standards and Technology has created a materials science data repository as part of an effort in coordination with the Materials Genome Initiative (MGI) to establish data exchange protocols and mechanisms that will foster data sharing and reuse across a wide community of researchers, with the goal of enhancing the quality of materials data and models. Data present on this system are varied and may originate from within NIST or from the worldwide materials community. Data present on this system may or may not be critically reviewed.
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.
An infrastructure designed to automate materials discovery and optimization using classical force-field, density functional theory, machine learning, quantum computation calculations and experiments.
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.
The NIMS Materials Database (MatNavi) aims to contribute to the development of new materials and the selection of materials. MatNavi includes Polymer DB (chemical structures, polymerization, processing, physical properties, NMR spectra, etc.), Inorganic MaterialDB (crystal structures, phase diagrams, physical properties, etc.), Metallic Material DB (density, elastic constants, creep characteristics, etc.) and Computational Electronic Structure DB (band structures obtained by first-principles calculations, etc). It also offers applications such as the Composite Design & Property Prediction System. If you register, you can search and browse various databases for free.
The Beilstein Archives is a free, open access platform, providing scholars the opportunity to rapidly publish preprints (pre-peer-reviewed manuscripts intended for publication) and related supporting information (code, data sets, movies, spectra, images, etc.). The Beilstein Archives is part of the non-profit Beilstein-Institut's ongoing commitment to open science and transparent communication in the chemical sciences and related disciplines and provides scholars with a non-commercial platform, managed by a long-standing, reputable non-profit institute. As with all projects supported by the Beilstein-Institut, all publications in the Beilstein Archives are open access and are always available to read, download, and share – no subscription needed.
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.
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.
Each CMR project consists of an ASE-database and a project page describing the data and showing examples of how to work with the data using Python and ASE.
The Materials Data Facility (MDF) is set of data services built specifically to support materials science researchers. MDF consists of two synergistic services, data publication and data discovery (in development). The production-ready data publication service offers a scalable repository where materials scientists can publish, preserve, and share research data. The repository provides a focal point for the materials community, enabling publication and discovery of materials data of all sizes.
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
ECrystals is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service. It contains all the fundamental and derived data resulting from a single crystal X-ray structure determination, but excluding the raw images.
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.
MatDB is a database application for experimentally measured engineering materials data. It supports open, registered, and restricted access. It presently hosts more than 20.000 unique data sets coming mainly from European and Member State research programmes. It supports web interfaces for entering, browsing, and retrieving data. MatDB is also enabled for innovative services, including data citation and interoperability standards. The data citation service relies on DataCite DOIs. The historic data sets are being enabled for citation. For all new projects where MatDB is used for managing project data, end-users are encouraged to request DataCite DOIs. There is though no obligation as regards the access level as it is considered sufficient simply that the data sets are made discoverable through data citation. The service that relies on interoperability standards leverages the outputs from a series of CEN Workshops that aim to deliver Standards-compliant data formats for engineering materials data. In this context, MatDB is used to validate and demonstrate said formats with a view to promoting their adoption. MatDB is part of the ODIN Portal https://odin.jrc.ec.europa.eu/alcor/
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.
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and applicability. Users are encouraged to download and use interatomic potentials, with proper acknowledgement, and developers are welcome to contribute potentials for inclusion. The files provided have been submitted or vetted by their developers and appropriate references are provided. All classes of potentials (e.g., MEAM, ADP, COMB, ReaxFF, EAM, etc.) and materials are welcome. Interatomic potentials and/or related files are currently available for various metals, semiconductors, oxides, and carbon-containing systems.
NanoCommons delivers a sustainable and openly accessible nanoinformatics framework (knowledgebase and integrated computational tools, supported by expert advice, data interpretation and training), for assessment of the risks of NMs, their products and their formulations. NanoCommons combines Joint Research Activities to implement the nanoinformatics Knowledge Commons, Networking Activities to facilitate engagement with the research community, industry and regulators, and provision of funded Access to the nanoinformatics tools via funded calls for Transnational Access.
Mat3ra is a cloud-native digital materials R&D platform. Design structures, run simulations, and build AI/ML models online alongside scientists on your team and worldwide.
The organic materials database is an open access electronic structure database for 3-dimensional organic crystals, developed and hosted at the Nordic Institute for Theoretical Physics – Nordita. It provides tools for search queries based on data-mining and machine learning techniques. The universal features provided on our web interface facilitate the design of novel functional organic materials with a wide-range of applications.
CeR – Central Repository is the institutional digital repository of the Institute of Chemistry, Technology and Metallurgy, University of Belgrade. The aim of the repository is to provide open access to publications and other research outputs resulting from the projects implemented by the Institute of Chemistry, Technology and Metallurgy. The repository uses a DSpace-based software platform developed and maintained by the Belgrade University Computer Centre (RCUB).
The Open Materials Database is a publicly available, searchable database for information on the properties of materials created by people who work in computational materials design research. It is an independent implementation inspired by the database-centric high-throughput approach pioneered by G. Ceder, K. Persson, et al., and others. This methodology is the basis of the White House Materials Genome Initiative.
TechnoRep is the institutional digital repository of the University of Belgrade - Faculty of Technology and Metallurgy. It provides open access to publications and other research outputs resulting from the projects implemented by the Faculty of Technology and Metallurgy. The software platform of the repository is adapted to the modern standards applied in the dissemination of scientific publications and is compatible with international infrastructure in this field.
A site for Materials Scientists to collaborate, store and publish research.
ThermoML presents published experimental data extracted from 5 major journals in the field and links to ThermoML files, which represent experimental thermophysical and thermochemical property data reported in the corresponding articles. At the same time ThermoML is an XML-Based IUPAC Standard for Storage and Exchange of Experimental Thermophysical and Thermochemical Property Data.
The Perovskite Database Project aims at making all perovskite device data, both past and future, available in a form adherent to the FAIR data principles, i.e. findable, accessible, interoperable, and reusable.
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.
The SupraBank is providing detailed information of intermolecular interactions. Especially host:guest interactions are covered, but also ligand:protein interactions, and polymer interactions as well as surface adsorption processes can be managed. The reporting of conditions during the analysis of intermolecular interactions, such as binding isotherms, are in general annotated in text-based publications in virtue of human readability. In order to compare binding data, the conditions of the experiments should be structured and machine readable for facile processing. Here the SupraBank offers the scientists a platform to view the experimental data structured for human readability at the web interface, but also offers machine-readable access. This platform is supposed to be a useful tool for all natural sciences, but especially for physical chemistry and supramolecular chemistry.
The mission of HTEM DB is to enable discovery of new materials with useful properties by releasing large amounts of high-quality experimental data to public. The HTEM DB (High Throughput Experimental Materials Database) contains information about materials obtained from high-throughput experiments at NREL (National Renewable Energy Laboratory).
Kadi4Mat, or Kadi for short, is a generic and open source virtual research environment. Originally developed in the context of materials science, Kadi4Mat can be used for the management of any type of research data within different research disciplines and use cases. Its goal is to combine the ability to manage and exchange data, the repository component, with the possibility to analyse, visualise and transform said data, the electronic lab notebook (ELN) component. The focus on the repository component is on warm data, i.e. unpublished data that is yet to be analysed further, while in the ELN component it is on the automated and documented execution of heterogeneous workflows via an application programming interface (API). In this way, a customizable framework is created that facilitates good research data management (RDM) practices and collaboration between researchers.
A platform to store structure and property data created by atomistic simulations, and tools to design materials by learning from the data
Portal to Los Alamos Opacity Codes is your gateway to the set of opacity codes developed at the Los Alamos National Laboratory. The TOPS code has been developed to calculate multigroup opacities that can be written in a variety of formats for use in radiation transport codes. Arbitrary mixture of any elements for which OPLIB data exist is supported. Opacities of special mixtures that are important in astrophysical applications are also available as a separate option (Astrophysical opacities).
The institutional Repository of IMDEA Nanociencia is the digital archive that collects the scientific production of the institute, with the aim of preserving and disseminating research results in open access.
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.
The Community Resource for Innovation in Polymer Technology (CRIPT) provides a platform for people working in polymer science and engineering to capture and share data. CRIPT is led by a team at the Massachusetts Institute of Technology (MIT) along with collaborators in Academia, Industry, and Government, with support from the NSF.
Science Central™ is an innovative and comprehensive platform provided by the Environmental Molecular Sciences Laboratory (EMSL) to revolutionize scientific investigations and research conducted at EMSL. It is a centralized project management, data analysis, visualization, collaboration and knowledge sharing hub, offering a seamless and integrated environment to accelerate scientific discovery. Science Central™ offers seamless access to scientific data through Data Portal and variety of tools such as Modeling Workbench and Insights Engine to its users. It empowers researchers to maximize their research potential, fostering a vibrant scientific community and driving impactful discoveries in fields such as environmental sciences, materials research, and energy innovation. Serving as a hub, Science Central™ has multiple embedded web applications, each built and tailored with specific research needs and workflows.
Nanotechnology is the study and application of phenomena and materials at atomic, molecular and macromolecular scales, where properties differ significantly from those at a larger scale. Through research, development and innovation, publications and patents are being published and products developed with nanotechnology at their core. Novel nano-based materials are finding applications in areas including health, energy, photonics, manufacturing and information and communications technologies. This resource provides access to data, mainly from Europe, on the current status of nanotechnology including research publications and projects, patents applied for and granted, companies and products.