ERC Starting Grant · 2023
ab initio PRediction Of MaterIal SynthEsis
ab initio simulation techniques have evolved to the point that we can reliably predict many properties of materials before they have been synthesized. This paradigmatic change has led to databases that contain millions of theoretically predicted materials with desirable attributes. However, all this information is of little use if we cannot predict if these novel materials can be made at all. I will develop a framework based on first-principles computer simulations to predict if and how a material can be made. The proposed approach will boost the success rate of “materials by design”, expedite experiments to create novel materials, and thus greatly enhance the speed of materials discovery.…
From the public funding record at EU CORDIS. Describes the funded project, not the reviews below.