Science cluster
Summary
MatScatNet is an innovative project aimed at enhancing materials research by creating a high-quality, open-access database for sharing X-ray and neutron scattering data. These powerful characterisation methods are essential for understanding the atomic structure of materials, which directly influences their properties and performance. Despite their significance, a comprehensive, openly accessible repository of experimental data is currently lacking, limiting researchers' ability to drive materials discovery and technological advancements. MatScatNet seeks to bridge this gap by providing a centralised platform that facilitates collaboration among researchers, industries, and research infrastructures (RIs), thereby promoting an Open Science approach and supporting innovation in fields such as nanotechnology, energy, and pharmaceuticals.
Challenge
Open Science project, Open Science Service, Industry cooperation
The characterisation of materials through powder diffraction, total scattering techniques and pair distribution function analysis is essential for understanding their atomic structures and how these structures influence material properties. However, the lack of an openly accessible, structured repository for experimental data hinders research and collaboration. Currently, the only structured database of this sort is that of the International Centre for Diffraction Data (ICDD), which contains about 19,000 powder diffraction dataset. This gap limits researchers' access to crucial data, slowing down the materials discovery process.
Solution
MatScatNet aims to develop an Open Science database populated with high-quality experimental data generated through a dedicated high-throughput setup at the ESRF. The project aims to engage diverse communities and RIs and enhance data sharing through user-friendly tools that improve the searchability and reusability of powder diffraction patterns and pair distribution function data. To achieve this goal, the MatScatNet team will develop and integrate new algorithms that will improve the speed, identification and findability of data.
Scientific Impact
By establishing the first high-quality open materials scattering network (MatScatNet), complete with a growing database with advanced retrieval and identification interface and analysis tools for material scientists, MatScatNet will significantly advance materials research by fostering collaboration between academia and industry, ultimately enhancing the pace of materials discovery.
The project also expects to empower researchers working in the many fields of material science to learn and perform initial data appraisals without prior expert knowledge. This will be accomplished by allowing users to identify and match their data with those from the MatScatNet database, the PaNOSC repository, and other open data sources, such as the Crystallography Open Database (COD) and Materials Project.
Principal investigator
Maxwell Terban is a materials scientist specialised in material structure characterisation methods using advanced X-ray scattering and structure modelling techniques. His research focuses on understanding the impact of synthesis and post-processing on functional materials.
