David receives funding for the catLEGOS and HYSTRAM projects

January 17, 2022

Abstract Image The catLEGOS project was funded by the Research Council of Norway with 1.2 M€ for a period of 4 years, whereas the HYSTRAM project was funded by the EU Resilience program with 6.0 M€ for a period of 3 years. There will be three positions opened for catLEGOS, including one PhD and one postdoc in 2022, plus one more postdoc in 2023. For the HYSTRAM project, one postdoc will be hired in 2022.

The catLEGOS project will focus on the development of machine learning models for the prediction of quantum properties relevant to catalysis with transition metal complexes. The research is planned in three different blocks, including 1) the generation of datasets covering a significant portion of the metal-organic space, 2) the development of molecular representations based on first-principles calculations, and 3) the optimization of predictive models based on neural networks and Gaussian processes. David will be the PI of the project.

The HYSTRAM project involves a large consortium of Universities and Industries for the development of a demonstration plant for the synthesis of ammonia from nitrogen and hydrogen, in which the latter will be produced with renewable energy sources. One of the key components of the plant is a hydrogen storage system based on metal-organic frameworks (MOFs). The research led by David will focus on the use of high-throughput virtual screening and machine learning methods for the discovery and design of new MOFs with a high affinity for hydrogen adsorption.

The Hylleraas News site also announced the catLEGOS and HYSTRAM grants. 



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