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Data-driven materials discovery | 91TV

1 hour and 5 mins watch 01 November 2022

Transcript

Join us for the Clifford Paterson Lecture 2020 given by Professor Jacqui Cole.

Professor Jacqueline Cole was awarded the Clifford Paterson Medal and Lecture 2020 for the development of photo-crystallography and the discovery of novel high-performance nonlinear optical materials and light-harvesting dyes using molecular design rules. After 2 years of delays due to the global pandemic, Professor Cole now has the opportunity to deliver the Prize Lecture.

Professor Cole will describe how one can combine the predictive power of artificial intelligence with data science and algorithms to discover new materials for the energy sector. A ‘design-to-device’ pipeline for materials discovery will be demonstrated. Thereby, large-scale data-mining workflows are fashioned to predict successfully new chemicals that possess a targeted functionality.

The success of such a data-driven materials discovery approach is nonetheless contingent upon having the right data source to mine. It also requires algorithms that suitably encode structure-function relationships into data-mining workflows that progressively short list data toward the prediction of a lead material for experimental validation. The talk shows how suitable data are sourced, algorithms are designed and fed into predictions, and how these predictions are borne out by experiments.


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