PsiCon 2024 — Emory

  • Lori Burns
  • Monday, Dec 23, 2024
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Meeting Time and Location

This year’s meeting will be held in virtually over Zoom. The program is shown below. Yes, we’re still calling it PsiCon2024 Optional tutorials and breakout sessions will be held Friday afternoon. Registration is free.

Zoom links will be sent to all registered participants on Thursday, January 9.

Logistics

  1. Main conference days Friday and Saturday will be online only.

PsiCon 2024 Agenda

Friday, January 10, Online

  • 10:00–10:05 — Francesco Evangelista, Emory, opening remarks
  • 10:05–10:20 — David Sherrill, Georgia Tech, Current State of Psi4 and Future Goals
  • 10:20–11:00 — Lori Burns, Georgia Tech, Compiling Psi4 with Einsums & 2024 Psi4 Ordnance Survey
  • 11:00–11:30 — Edward Valeev, Virginia Tech, Update on LibintX
  • 11:30–12:30 — Justin Turney, Univ. of Georgia, Introduction to Einsums
  • 12:30–1:30 — lunch, Zoom remains open for discussion
  • 1:30–2:00 — Justin Turney, Univ. of Georgia, Einsums Demo

Saturday, January 11, Online

  • 9:00–9:30 — Group Discussion based on Friday’s talks
  • 9:30–12:00 — Lightning Talks
    • Konrad Patkowski, SAPT update (15m+5)
    • Francesco Evangelista, Forte update (15m+5)
    • Joshua Kretchmer, Implementation and Development of Real-Time Electronic Structure Methods (15m+5)
    • break
    • Andy Jiang, DLPNO update (15m+5)
    • Nate Kitzmiller, Integrating MolSym into Psi4 (15m+5)
    • Isabel Berry, SparcleQC: a python package that prepares electrostatically embedded quantum chemical calculations of protein-ligand systems (5m+5)
    • Kevin Marin, Emory, forte-lang: Visual Studio Code extension for psi4 and forte (5m+5)-
    • Austin Wallace, Recent advancements in SAPT (5m+5)
    • John Pederson, Georgia Tech, Recovering and Extending EMBPOT for Arbitrary One-Electron Potentials (5m+5)