K. Dumon
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Speeding up materials discovery and design: from high-throughput screening to machine learning
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How many materials are left to discover? An exploration of quaternary space
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Abstract
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ML4MS ConferenceThe High-Throughput approach to Computational Materials Design
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Abstract (private)
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General Scientific Meeting 2016 of the Belgian Physical SocietyHunting for new quaternary Zintl phases of the 1:1:1:4 stoichiometry
There is a large group of less well-known solids that share properties with the ionic solids as much as with the covalent solids: Zintl phases. Scientists have reasons to expect interesting and useful materials among the Zintl phases built from four (or more) elements – the quaternary Zintl phases (QZP). The 50 true QZP that are experimentally known are negligible compared to the hundreds of thousands of QZP that might potentially exist. The major bottleneck is that there are so many possibilities to examine.
Boosting the discovery rate of quaternary Zintl phases
Karel Dumon
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Preface First
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