Building bridges over mountain passes with variational path sampling

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• Dr David Limmer, UC Berkeley
• Wednesday 11 May 2022, 16:30-17:30
• Zoom and will be lived streamed in the Dept of Chemistry, Wolfson Lecture Theatre .

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

https://zoom.us/j/92686443414?pwd=OXVvY3lubnYxdU04enVZNFEzcjNmdz09 Meeting ID: 926 8644 3414 Passcode: 815149

In this talk I will discuss some recent efforts to understand rare events in systems far from equilibrium. The perspective developed is one based on path ensembles, employing results from large deviation theory and stochastic thermodynamics. In particular, I will review recent formal results concerning how nonequilibrium systems respond and how rates of rare events are sped up with external driving. Additionally, I will present a class of simulation algorithms employing variationally optimized control forces with which to promote otherwise rare events, together with a reweighting scheme that allows for errors to be systematically controlled.

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

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• Lennard-Jones Centre external
• School of Physical Sciences
• Zoom and will be lived streamed in the Dept of Chemistry, Wolfson Lecture Theatre

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