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TZID:Europe/Berlin
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DTSTART:20250813T000000
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DTSTART:20251026T030000
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DTSTART:20260329T030000
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SUMMARY:QCEngine.jl: Electronic Structure for Nonadiabatic Dynamics - Ash 
 Baldwin
DTSTART;TZID=Europe/Berlin:20260813T170000
DTEND;TZID=Europe/Berlin:20260813T171500
DTSTAMP:20260809T015946Z
UID:pretalx-juliacon-2026-7VLXGG@pretalx.com
DESCRIPTION:I will present QCEngine.jl\, an extension to the NQCDynamics.j
 l ecosystem that enables on-the-fly electronic structure theory calculatio
 ns that couple to a library of efficient non-adiabatic dynamics methods. Q
 CEngine.jl integrates with NQCModels.jl to enable the evaluation of molecu
 lar dynamics on electronic potential energy surfaces of interacting many-b
 ody Hamiltonians. I will highlight its use-case by presenting its applicat
 ions to my research on spin-resolved surface scattering.
LOCATION:Muschel — N2
URL:https://pretalx.com/juliacon-2026/talk/7VLXGG/
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