CORDIS Project
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This project develops a computational framework to predict the manufacturability of novel materials based on first-principles simulations. By integrating advanced statistical methods and machine learning, it aims to accelerate the discovery and synthesis of functional materials with desirable properties.
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 materi…
INSTITUTE OF SCIENCE AND TECHNOLOGY AUSTRIA
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