Meeting Time and Location
This year’s meeting will be held in person at Emory January 10-11, 2025 and 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
- Main conference days Friday and Saturday will be centered at Atwood Hall, Room 360
- The most convenient parking is Peavine Lot.
PsiCon 2024 Agenda
Friday, January 10, Atwood 360, ADD ZOOM
- 9:30–10:00 — pre-conference coffee and snacks
- 10:00–10:05 — opening remarks, Emory, Francesco Evangelista
- 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
- 11:00–12:00 — Justin Turney, Univ. of Georgia, Introduction to Einsums
- 12:00–1:30 — lunch, on your own
- 1:30–2:00 — Ed Valeev, Virginia Tech, Update on LibintX, tentative
- 2:00–4:00 — Justin Turney, Univ. of Georgia, Einsums Hackathon, potential problems:
- implement CCD or CCSD, based on Psi4NumPy template
- implement some components of SAPT, Psi4Numpy template
- implement CIS
Saturday, January 11, Atwood 360, ADD ZOOM
- 8:30–9:00 — pre-conference coffee and snacks
- 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
- 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)
- Austin Wallace, Recent advancements in SAPT (5m+5)
- Apoor Kushwaha, Automating PES generation for atom-atom (1D), atom-rigid rotor (2D), and rigid rotor-rigid rotor (4D) collision (5m+5, remote)
- break