Prof David Wales: Energy landscapes: from molecules and nanodevices to machine learning

Title: Energy landscapes: from molecules and nanodevices to machine learning
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Abstract: The potential energy landscape provides a conceptual and computational framework for investigating structure, dynamics and thermodynamics in atomic and molecular science. This talk will summarise new approaches for global optimisation, quantum dynamics, the thermodynamic properties of systems exhibiting broken ergodicity, and rare event dynamics. Applications will be presented that range from prediction and analysis of high-resolution spectra, to coarse-grained models and design principles for self-assembly of mesoscopic structures, with recent results for machine learning landscapes.
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About the speaker: David Wales is a professor of Chemical Physics, in the Department of Chemistry at the University of Cambridge. Wales' research investigates energy landscapes, with applications to chemical biology, spectroscopy, clusters, machine learning, solids and surfaces. Wales was awarded the Meldola Medal and Prize in 1992 and the Tilden Prize in 2015 both by the Royal Society of Chemistry. He was the first recipient of the ICReDD Award, commemorating Professor Akira Suzuki, at Hokkaido University in 2020. Wales was elected a Fellow of the Royal Society (FRS) in 2016 and is also a Fellow of the Royal Society of Chemistry. He received a Humboldt Research Prize from the Alexander von Humboldt Foundation in 2020.
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