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UID:pretalx-juliacon-2026-7VLXGG@pretalx.com
DTSTART;TZID=CET:20260813T170000
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DESCRIPTION:I will present QCEngine.jl\, an extension to the NQCDynamics.jl
  ecosystem that enables on-the-fly electronic structure theory calculation
 s that couple to a library of efficient non-adiabatic dynamics methods. QC
 Engine.jl integrates with NQCModels.jl to enable the evaluation of molecul
 ar dynamics on electronic potential energy surfaces of interacting many-bo
 dy Hamiltonians. I will highlight its use-case by presenting its applicati
 ons to my research on spin-resolved surface scattering.
DTSTAMP:20260502T130004Z
LOCATION:Room 2
SUMMARY:QCEngine.jl: Electronic Structure for Nonadiabatic Dynamics - Ash B
 aldwin
URL:https://pretalx.com/juliacon-2026/talk/7VLXGG/
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