Center for Predictive Simulation of Functional Materials Annual Meeting 2025
Agenda
Wednesday, November 5, 2025
Building 241 / Room D172
All times are in Central Time
Teams link will be provided to remote attendees
Wed., 11/5: Shuttle pick up at the Argonne Guest House is 8:30 am and returning at 5:15 pm CST.
6:00 – 8:30: Continental breakfast at the guest House (included in stay)
8:30 – 8:40: Bus From Guest House
8:40 – 8:50: Check-in
8:50 – 9:00: Building Safety - Ye Luo (ANL)
9:00 – 9:30: Welcome, Goals for meeting, Center Overview – Paul Kent (ORNL)
9:30 – 10:30: Overview of Thrusts 1,2,3 (Jaron, Ganesh, Paul)
10:30 – 10:45: Coffee Break
10:45 – 12:00: Breakouts for Thrust 1 and 2
12:00 – 13:00 : Lunch on own at Argonne Cafeteria
13:00 – 15:00: Breakouts for Thrust 1 and 2 continued
15:00 – 15:15: Break
15:15 – 17:15: Breakouts continue / Small groups to refine projects
17:15 – Adjourn for the day –
17:15: Bus from meeting location to Guest House.
18:30: Dinner offsite (Not covered by Workshop)
Dinner at TBD – Reservation name "Ye Luo"
TBD - address
They will be accepting separate checks.
Thursday, November 6, 2025
Building 240 / Room 1405
All times are in Central Time
Teams link will be provided to all remote attendees
Thu., 11/6: Shuttle pick up at the Argonne Guest House is 8:30 am and returning at 5:15 pm CST.
6:00 – 8:30: Continental Breakfast at the Guest House (included in stay)
8:30 – 8:40: Bus From Guest House
8:40 – 8:50: Check-in
8:50 – 9:00: Building Safety (Ye)
9:00 – 9:00: Review + Discussion of Thrust 3 Center Activities
9:45 – 11:00: Presentations and discussions of proposed projects T1-T3 (no more than one slide/person)
11:00 – 11:20: Group photo and break
11:20 – 12:00: Small groups to refine proposed projects
12:00 – 13:00: Lunch on own at Argonne Cafeteria
13:00 – 15:00: Discussion of possible roles AI/ML
15:00 – 15:20: Coffee Break
15:20 – 16:30: Small groups continue
16:30 – 17:15: Topics for Friday "hackathon"
17:15 – Adjourn for the day –
17:15: Bus from meeting location to Guest House.
18:30: Dinner on own at a restaurant near Argonne (Not covered by Workshop). Location tbd
Friday, November 7, 2025
Building 240 / Room 1405
All times are in Central Time
Teams link will be provided to all remote attendees
Fri., 11/7: Final shuttle pick up at the Argonne Guest House is 8:30 am CST and no return.
6:00 – 8:40: Continental Breakfast at the Guest House (included in stay)
8:40 – 8:40: Bus From Guest House
8:40 – 9:00: Check-in
9:00 – 9:30: Recap of proposed projects (as needed)
9:30 – 12:00: Hackathon on "small but useful" updates to QMCPACK, NEXUS. E.g. documentation, more helpful output, problem solving... Or work in groups on NN-VMC software setup, in progress manuscripts...
12:00 – Adjourn for the day –