Latest highlights

June 2022

The first ever PRACE HPC Excellence Award

This newly created award recognises an outstanding individual or team for ground-breaking research that leads to significant scientific advances through the usage of HPC. Together with N. Mounet, M. Gibertini, P. Schwaller, D. Campi, A. Merkys, A. Marrazzo, T. Sohier, I. E. Castelli, A. Cepellotti, G. Pizzi, and N. Marzari, we won the prize for our work on Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds, Nature Nanotechnology 13, 246-252 (2018). In the words of the Prize Comittee, "This cornerstone work outlines the role of accurate first-principle simulations as an effective tool for materials discovery through the usage of high-performance computing. The developed digital twin of an exfoliation experiment has already had an exceptional impact in the field, leading to the discovery of new materials, in particular quantum materials."

May 2022

Ferroeletric QSHI cartoon

New article about 2D ferroelectric topological insulators
published on npj 2D materials and applications!


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Electronic-Structure Theory & Algorithms

Advances in electronic-structure theory and development of innovative algorithms

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Topological & Quantum Materials

Design and discovery of novel 2D materials, topological insulators and other quantum materials

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Machine Learning

Data mining and machine learning techniques applied to electronic structure simulations


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