Job announcements relevant to people interested in electronic structure calculations…
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Expert (postdoc) position in high-throughput DFT ... (No replies)
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The consortium FAIRmat is building an International FAIR Data Infrastructure for Condensed-Matter Physics and the Chemical Physics of Solids: https://www.fair-di.eu/fairmat/
The enormous amounts of research data produced every day in the fields of Condensed-Matter Physics, Materials Science, and the Chemical Physics of Solids represent a gold mine of the 21st century. This gold mine is, however, of little value, if these data are not comprehensively characterized and made available. To refine this feedstock, i.e., turn data into knowledge and value, a FAIR (Findable, Accessible, Interoperable, and Re-usable) data infrastructure is a must. Only then, data can be readily shared and explored by data analytics and artificial-intelligence (AI) methods. Making data Findable and AI Ready will change the way how science is done today. The consortium FAIRmat sets out to make this happen.
FAIRmat is part of the international association FAIR-DI (https://www.fair-di.eu/). It starts from NOMAD (https://nomad-lab.eu/) but will significantly extend and advance these services by addressing materials synthesis, experiments, and theory and computations.
We are specifically looking for a computational materials scientist for the task “Ab Initio Calculations” that is part of Area C, Theory and Computations. This Task is led by Silvana Botti (FSU Jena) and Matthias Scheffler (FHI and HU Berlin) and coordinated by Luca Ghiringhelli. We are looking for an expert in ground-state electronic structure calculations and data analytics, including artificial intelligence. The project involves the development of a FAIR-compliant metadata and ontology infrastructure for ground-state electronic structure calculations, which moves from the existing NOMAD MetaInfo [1,2]. Moreover, the main challenge is to develop AI-based approaches to assess and improve the accuracy (towards fully converged calculations) and precision (toward high-level, reference methods) of the calculations present in the NOMAD Repository and Archive, in order to allow for a true interoperability and re-usability of the shared data. Excellent scientific- and database-programming skills are required.
This position is up to five years, with possible further prolongation.
If you are interested, please apply at https://nomad-lab.eu/career/nomad-hub , by mentioning “Area C, ab initio calculations expert” in the cover letter.
[1] Ghiringhelli, Luca M., Christian Carbogno, Sergey Levchenko, Fawzi Mohamed, Georg Huhs, Martin Lüders, Micael Oliveira, and Matthias Scheffler. "Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats." NPJ Computational Materials 3, (2017): 1.
[2] https://nomad-lab.eu/prod/rae/gui/metainfo