Density functional theory and Machine learning: On the road to paradise (or perdition).

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• Professor Kieron Burke, University of California, Irvine
• Thursday 05 September 2024, 16:00-17:00
• Yusuf Hamied Department of Chemistry, Wolfson Lecture Theatre.

If you have a question about this talk, please contact Lisa Masters.

I will discuss how DFT calculations are now used in just about every branch of the science of everyday matter, especially materials science and chemistry. I will also review the rapid rise of machine learning, and its impact on electronic structure calculations. I will end by discussing some efforts I have been involved with to use machine learning to make density functional approximations and some warnings about the future.

This talk is part of the Lennard-Jones Centre series.

This talk is included in these lists:

• Hanchen DaDaDash
• Lennard-Jones Centre
• Yusuf Hamied Department of Chemistry, Wolfson Lecture Theatre

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