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SUMMARY:Learning Conical Intersections for Excited States Using Smooth Inv
 ariants - Dr. Timon S. Gutleb ( University of Leeds)
DTSTART:20250210T140000Z
DTEND:20250210T143000Z
UID:TALK226456@talks.cam.ac.uk
CONTACT:Eszter Varga-Umbrich
DESCRIPTION:Conical intersections play a crucial role in determining the d
 ynamics of molecules and materials upon light excitation\, molecular orbit
 als and material band structure. In the relevant context of high-dimension
 al non-smooth hyper-surfaces\, common machine learning models perform poor
 ly.\n\nIn this talk I will discuss recent work towards overcoming these is
 sues by learning globally smooth invariant quantities from which the desir
 ed conical intersections can be reconstructed accurately.
LOCATION:zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09
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