PsiCon 2025 — Georgia Tech

  • Lori Burns
  • Monday, Dec 1, 2025
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Meeting Time and Location

This year’s meeting will be held in person at GT and virtually over Zoom. The program is shown below. Optional tutorials and breakout sessions will be held Friday afternoon. Registration is free.

Zoom links will be sent to all registered participants around Tuesday, December 2.

Logistics

  1. Main conference days Friday and Saturday will be centered at MoSE 3201A
  2. No pre-conference hacking, but we’ll have some in- and post-conf hacking centered at MoSE 4202A
  3. Some hotels of which the Georgia Tech Hotel and Conference Center and the Hilton Garden Inn Atlanta Midtown are the most convenient
  4. The most convenient parking deck is W23. Enter campus at 10th St. and State St.

PsiCon 2025 Agenda

Friday, December 5, MoSE 3201A, Zoom

  • 9:30–10:00 — registration/breakfast
  • 9:45–10:00 — meeting open for login (ping on Psi4 slack for Zoom trouble)
  • 10:00–10:10 — opening remarks, David Sherrill
  • 10:10–10:45 — Lori Burns, Georgia Tech, 2025 Psi4 Ordnance Survey
  • 10:45–11:05 — David Sherrill, Georgia Tech, Opportunities and Challenges for Psi4
  • 11:05–11:25 — Connor Briggs, Univ. of Georgia, New and Upcoming Features in Einsums 2.0
  • 11:25–11:45 — Zhe Wang, Georgia Tech, Adapting DF-CCSD(T) Code with Einsums
  • 11:45–11:52 — Humahuti Dihingia, Nicolaus Copernicus Univ., Intermolecular Interaction via Variational Approach
  • 12:00–1:00 — lunch, provided
  • 1:00–1:20 — Francesco Evangelista, Emory, Forte2 and Visualization Features
  • 1:20–2:05 — Andy Jiang, Univ. of Georgia, Approaching FCI limit with local correlation methods (Higher Order DLPNO methods, up to DLPNO-CCSDTQ)
  • 2:05–2:25 — Jaden Yon, Georgia Tech, Practical Tips for DLPNO-CCSD(T)
  • 2:25–2:40 — break
  • 2:40–3:00 — John Pederson (Zoom), Georgia Tech, GHO4: A Utility for Implementing SCF Procedures with Arbitrary External Potentials, Frozen Orbital Embedding, and More
  • 3:00–3:20 — Mitchell Lahm, Univ. of Georgia, Concordant Mode Approach and Psi4: First steps towards integration
  • 3:20–3:40 — Matthew Ward, Univ. of Memphis, Generalized Hartree–Fock Methods in Psi4
  • 3:40–4:00 — Nathan Gillispie, Univ. of Memphis, ZORA in Psi4
  • 4:00–4:20 — Eric Fowler, Georgia Tech, CCSD with Einsums
  • 4:20–4:25 — organize breakout sessions
  • 4:25–4:40 — break
  • 4:40–5:30 — Breakout Session I
  • 5:30–6:00 — Tibor Győri (Zoom) (tentative), Univ. of Szeged, Hungary, Automated development of full-dimensional PES fits for reactive MD via active learning: a real-world stress test of electronic structure theories and implementations.
  • dinner, on your own. suggest Chattahoochee Food Works at 1235 Chattahoochee Ave NW

Saturday, December 6, MosE 3201A, hacking — no Zoom

start time TBD

  • 9:30–10:00 — registration/breakfast
  • 10:00–10:15 — organize breakout/hacking sessions
  • 10:15–12:00 — Breakout Session II
  • 12:00–1:00 — lunch, on your own
  • 1:00–3:00 — Breakout Session III