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UID:pretalx-juliacon-2026-NCAGUK@pretalx.com
DTSTART;TZID=CET:20260813T171500
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DESCRIPTION:We implement the Pariser-Parr-Pople (PPP) Hamiltonian in a Juli
 a package\, PPP.jl. This method allows the extremely fast calculation of o
 ptical properties of molecules\, by using a minimal set of fitted paramete
 rs to approximate the one and two-electron integrals. We machine-learn the
  parameters of our model within our Julia package\, and work towards exten
 ding the PPP formalism to include a many-body parameterisation based on th
 e Atomic Cluster Expansion (ACEPotentials.jl).
DTSTAMP:20260502T103430Z
LOCATION:Room 2
SUMMARY:Efficient Calculation of Molecular Optical Properties with Pariser-
 Parr-Pople Method - Abigail Levison
URL:https://pretalx.com/juliacon-2026/talk/NCAGUK/
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