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Found 9 result(s)

NanoCommons Knowledge Base

NanoSolveIT Knowledge Base

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The NanoTox Knowlege Base provides access to Nanomaterials, their physico-chemical characterisations, toxicological assays and environmental data as well as computational model based descriptors.

Kadi4Mat

Kadi4Mat instance KIT+

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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.

Digital Rocks Portal

DRP

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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/

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.

Basis Set Exchange

EMSL Basis Set Exchange

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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.

Materials Data Facility

MDF

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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.

ACEnano

Analytical and Characterisation Excellence in nanomaterial risk assessment

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The ACEnano Knowledge Infrastructure facilitates access and sharing of methodology applied in nanosafety, starting with nanomaterials characterisation protocols developed or optimised within the ACEnano project.

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.