Machine Learning for Molecular Simulation - from Quantum Chemistry to Protein Dynamics

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• Professor Frank Noé, Free University Berlin
• Wednesday 04 May 2022, 14:30-15:30
• Wolfson Lecture Theatre, Dept of Chemistry and Zoom.

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

Join Zoom Meeting https://zoom.us/j/91726565686?pwd=cmpNYmswRlRRamgycGhiT29jSE44UT09 Meeting ID: 917 2656 5686 Passcode: 592709

There has been a surge of interest in machine learning in the past few years, and deep learning techniques are more and more integrated into the way we do quantitative science. A particularly exciting case for deep learning is molecular physics, where some of the “superpowers” of machine learning can make a real difference in addressing hard and fundamental computational problems – on the other hand the rigorous physical footing of these problems guides us in how to pose the learning problem and making the design decisions for the learning architecture. In this lecture I will review some of our recent contributions in marrying deep learning with statistical mechanics, rare-event sampling and quantum mechanics.

This talk is part of the Theory - Chemistry Research Interest Group series.

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• All Talks (aka the CURE list)
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• Lennard-Jones Centre external
• School of Physical Sciences
• Wolfson Lecture Theatre, Dept of Chemistry and Zoom

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