Grabowski Lab

University of Stuttgart

Baden-Württemberg (DE1) · Germany

ERC-funded
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ERC Advanced Grant · 2024

Meta-Learned Machine-Learning Interatomic Potentials for Ab initio Engineering of Chemical and Microstructural Complexity

Materials engineers have dreamed for decades of optimizing materials starting from the quantum mechanical laws of nature. Mastering the inherent chemical and microstructural complexity promises access to outstanding properties of structural and functional materials. Machine-learning interatomic potentials (MLIPs) ignited hope by offering quantum-mechanical accuracy for systems with many atoms. However, the full capacity of MLIPs remains untapped due to the complexity of the MLIP construction process and the required simulations. META-LEARN will cut the MLIP Gordian knot and raise MLIP construction to the next level. Our vision is a meta-learning framework that unleashes the full strength of…

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