|D1.1 Data formats and compression||Information and data exchange is an important aspect of today’s scientific progress. In computational materials science, a prerequisite for smooth data exchange is standardization, which means using agreed conventions for, e.g., units, zero base lines, and file formats. In D1.1, we present a standardization strategy that, by accepting the heterogeneous ecosystem of computer codes, develops “converters” for the input and output files of all important codes. These converters then translate the data of all important codes into a standardized, code-independent, format.|
|D1.2 First 30 conversion layers||Description of converters (parsers) for the 30 leading simulation codes developed by NOMAD. The report also describes the infrastructure to run the converters and the NOMAD Archive generated with them.|
|D1.3 First 40 conversion layers||Description of converters (parsers) for the 40 leading simulation codes developed by NOMAD, including force field simulation codes. The source code for all the developed parsers is freely available on https://gitlab.rzg.mpg.de/nomad-lab.|
|D2.1 Code-independent Database||Report on the planning and implementation of the central NOMAD data storage.|
|D2.2 Demonstration of the search engine for one material class||
Report describing the rationale behind how materials are characterized in the NOMAD Encyclopedia and the implementation for one material class.
|D2.3 Query Algorithms||
Report on the how the NOMAD Laboratory CoE provides fine-grained and homogeneous access to the materials-science data by providing powerful search and retrieval capabilities.
|D2.4 Graphical User Interface||
Report on the deployment of the NOMAD Encyclopedia, a graphical user interface (GUI) that makes the enormous amount of computed materials properties of the NOMAD Archive accessible.
|D3.1 Remote Visualization Guide||Report on the prototype remote visualization system that has been implemented for NOMAD and reports about first use-cases and visualization results.|
|D3.2 First Assessment of Visualization Tools||Report on the development of visualization approaches and software tools for different types of NOMAD data, and summarizes the implementation status of a basic visualization toolkit within the NOMAD infrastructure.|
|D3.3 Final Assessment of Visualization Tools||Report on the development of visualization approaches and software tools for different types of NOMAD data (remote visualisation and virtual reality).|
|D3.4 Project Documentary Video||Report on the project documentary video, available on YouTube (https://youtu.be/sI2cPuIGNUU)|
|D3.5 Summary of Data Workshops||Report on the 1st and 2nd NOMAD Data Workshops, which provided a demonstration environment for the NOMAD Virtual Reality software packages for users outside of the NOMAD team.|
|D4.1 Analytics Toolkit - Initial Deployment||Report on the initial deployment of the NOMAD Analytics Toolkit, a web-based set of tools for performing state-of-the-art and beyond data analytics.|
|D4.2 Analytics Toolkit - Interim Deployment||Report on the interim deployment of the NOMAD Analytics Toolkit, a web-based set of tools for performing state-of-the-art and beyond data analytics.|
|D6.1 HPC Platform Requirements and Architecture Report||Report on requirements and architecture of the NOMAD technology platform for hosting the NOMAD development and production services.|
|D7.5 Workshop & Tutorials Summary||Report on NOMAD academic workshops and tutorials.|
|D8.1 Terms of Reference - SAC and IAC||Terms of Reference for the Scientific Advisory Committee and Industry Advisory Committee, which summarise how the NOMAD Consortium will interact with these important committees.|
|D8.2 Data Management Plan (Updated)||Data Management Plan for the NOMAD Laboratory CoE, version 3.0|