Dr. Fadwa El Mellouhi - Data-driven Materials Discovery
Автор: AIchemyhubUK
Загружено: 2025-03-05
Просмотров: 100
Описание: The webinar focuses on the prospects of Data-driven approaches in accelerating materials discovery. It is motivated by the upsurge of machine learning (ML) applications, big data and the adoption of computer science tools in materials science. Fadwa will give an overview of the latest advances in this field with focus on advances made in the last few years applied to energy and environmental materials. Fadwa will show how the combination of high throughput density functional theory (DFT) calculation with machine learning can be useful to perform a systematic analysis of the structure-to- property relation enabling to explore different classes of materials. Fadwa will highlight how the approach offers an interesting guideline to engineer novel materials for light absorption, green hydrogen production and CO2 reduction while enabling to reduce the huge space of experimental trial and error.
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