From Updates on Machine-Learned Potential Energy Surfaces to the Latest on Roaming in Formaldehyde

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Event details

Date and time 25.03.2021 17:1519:00  
Place and room
Zoom
Online https://epfl.zoom.us/j/98057582302
Speaker Prof. Joel M. Bowman Emory University, Atlanta, USA
Category Conferences - Seminars
Prof. Joel M. Bowman
Emory University, Atlanta, USA 
"I will describe recent work on high-dimensional potential energy surfaces (PES) for large, floppy molecules, including so-called Delta-Machine Learning.  I will start with a short historical perspective about triatomics  and tetraatomics and overcoming the 5-atom barrier.  Historically the PES for the tetraatomic  H2CO molecule has a special place both in development of PESs and in reaction dynamics and the discovery of “roaming” in 2004. Very recent joint experimental and theoretical work on “roaming” in H2CO will be presented."