2025 Irvine in-person meeting planning
- Lily Wang
- James Eastwood
- Pavan Behara
Goals
Dates
Feb 17, 2025 - Feb 21, 2025
Logistics
Fly into SNA (John Wayne Airport, Orange County) if possible
Stay in an airport hotel (e.g. Hampton Inn and Suites Irvine Orange County Airport Hotel )
David will provide shuttle service from airport hotels to campus each morning / evening. Pickup time from Hampton Inn will be 8:40 am each morning; David will be in a large gray Mercedes Sprinter van.
Meetings will be held on campus at UC Irvine, mostly in Burke Hall. No visitor badges needed.
(Some) Morning sessions will be hybrid on zoom.
Please populate this list with your lunch choices!
Parking: If you are parking, park at Lot 6 at UC Irvine, see below on Venue.
Fun stuff for out of state folks:
Venue
Berk Hall 250, UC Irvine
If you will need parking at UCI, contact David Mobley for parking permit and instructions; otherwise we are expecting you to carpool from the hotel area. Parking is at Lot 6 across the street and around the corner. From parking, exit Lot 6, by walking down stairs onto Academy Way St., and cross street. Walk towards Berk Hall, walk up the stairs, turn left, and enter the doors with The Clinical Pharmacy Practice sign. Parking permits are required at all times and daily permits can be purchased online or at kiosk if needed.
Coffee will be provided on site. We’ll bring in lunch each day from a different venue (fill lunch orders above), and there will be at least one group dinner, likely Tuesday night.
Water: Bring refillable water bottles, there’s a filling station down the hall.
Joining Remotely
We will be spending much of our time in a video conferencing room, so we anticipate a workable experience for remote attendees. If you’re joining remotely, we’ll use the same zoom link all week:
Join our Cloud HD Video Meeting
Meeting ID: 826 9707 7896
Passcode: 782928
Session schedules are on the OpenFF calendar. Open Force Field
Workshop Dinner
Dinner: We're planning on at least one conference dinner, probably Tuesday night. Because it will likely be more fun/allow better mixing than a restaurant, I was thinking of having catering the dinner and having it at an outdoor party/gathering space in my neighborhood with an outdoor fireplace, etc. (Location: Coltrane Kitchen near UCI.) This will also allow us more flexibility/better prices on beverages etc.This will be a "weather permitting" affair decided roughly the weekend prior -- we won't do it if it's gonna be raining, obviously (or unusually cold). But assuming it's on, this would mean you should bring some warm-ish clothes; temperatures at that time would usually be in the 50s-60s at that time of day this time of year. (For those for whom "60s" sounds balmy and warm, note the venue is immediately adjacent to a pool and hot tub which are heated year round so that's an option!)
Attendees
@James Eastwood
@Jeffrey Wagner
@Lily Wang
@Jennifer A Clark
@Matt Thompson
@David Mobley
Trevor Gokey
Meghan Osato (partial)
Pavan (partial)
@Michael Shirts
@Anika Friedman
Julianne Hoeflich
Barbara Morales
@Michael Gilson
@Willa Wang (Monday-Thursday)
@Chapin Cavender (Thursday - Friday)
@John Chodera
@Daniel Cole (via zoom for morning sessions)
@Finlay Clark (?? zoom)
Micaela Matta (via zoom, when schedule allows)
@Hannah Turney (via zoom, when schedule allows)
Josh Mitchell (via zoom for afternoon sessions)
Schedule (exact times tentative)
For breakfast, the assumption is that you are eating on your own, such as at the hotel before coming over.
Day | Morning | Afternoon |
|---|---|---|
Monday | (Note taker: JW) Remind folks of Interchange 1.0 roadmap survey Roadmap status updates (each 15 mins presentation+10 mins discussion/handover)
| (Note taker: LW) Roadmap status updates
|
Tuesday | (Note taker: AF and ??) Roadmap brainstorming (Eastwood)
| (Note taker: JC and ??) Roadmap planning + communication strategy (Eastwood) (JM available starting about 2 PM)
|
Wednesday | (Note taker: JCl and BM) Product roadmaps
| (Note taker: ?? and ??) Product roadmaps cont.
|
Thursday | (Note taker: MT and ??) Deep Dives - Informal user+developer discussions on focus areas, opening discussions on technical/scientific issues
| (Note taker: ?? and ??) Deep Dives cont., possibly beginning of hackathon (openff-units)
|
Friday | Hackathon (cookiecutter practice) | Hackathon (website / blog) (no JM, australian Saturday) |
Opportunistic topics:
Coming to a shared understanding of Pontibus needs/structure for the handover
Increased PEP compliance (ex. listing on pypi)
Custom 1-4s
“template to SMIRNOFF” tool (DLM: what does this mean? MT: Shirts lab have wanted to build a tool that takes “residue templates” like in conventional atom-typed infrastructure and create parameters with SMIRKS patterns from them)
Co-optimizing ions in mainline force fields
Would adding osmotic coefficient physical property targets improve the quality of a general force field fit?
What’s stopping us from using the currently-available ThermoML data that was filtered out in Sage training?
LJ-PME?
Agenda ideas
Go back over the roadmap presented Day 1 9 am and see where we stand compared to what we had planned
Maybe most useful as part of new roadmap planning? Is there anything we had planned to do/deliver that needs to be key part of new roadmap? (e.g. continuing on PTMs etc.)
Trevor nudged elastic band work?
Deep dive topics:
Replacing FB with Smee (based on Danny Cole presentation etc.)
Sounds like science experiments to do, like a side-to-side comparison on the same data (FB vs smee) to see if we end up with same FFs/similar FFs, make sure smee performing well enough in condensed phase etc.
BUT – smee much faster and more maintainable; we have huge issues with FB.
How to connect student presentations to mainline FFs/whether they connect.