Workshop I: Increasing the Length, Time, and Accuracy of Materials Modeling Using Exascale Computing

Part of the Long Program New Mathematics for the Exascale: Applications to Materials Science
March 27 - 31, 2023

Schedule

All times in this Schedule are Pacific Time (PT)

Monday, March 27, 2023

Morning Session
8:00 - 8:55 Check-In/Breakfast (Hosted by IPAM)
8:55 - 9:00 Welcome & Opening Remarks: Dean Miguel García-Garibay (Dean of Physical Sciences, UCLA) and Dima Shlyakhtenko (Director, IPAM)
9:00 Session Chair: Virginie Ehrlacher ( École Nationale des Ponts-et-Chaussées)
9:00 - 9:50
Lin Lin (University of California, Berkeley (UC Berkeley))

Interacting models for twisted bilayer graphene: a quantum chemistry approach
PDF Presentation
10:00 - 10:15 Break
10:15 - 11:05
11:15 - 11:30 Break
11:30 - 12:20
12:30 - 2:30 Lunch (on your own)

Afternoon Session
2:30 Session Chair: Vikram Gavini ( University of Michigan)
2:30 - 3:20
3:30 - 3:50 Break
3:50 - 4:40
4:50 - 5:15 Lightning Poster Presentation
5:15 - 6:30 Poster Session & Reception (Hosted by IPAM)

Tuesday, March 28, 2023

Morning Session
8:00 - 9:00 Check-In/Breakfast (Hosted by IPAM)
9:00 Session Chair: Lin Lin (UC Berkeley)
9:00 - 9:50
10:00 - 10:15 Break
10:15 - 11:05
11:15 - 11:30 Break
11:30 - 12:20
12:30 - 2:30 Lunch (on your own)

Afternoon Session
2:30 Session Chair: Richard Hennig ( University of Florida)
2:30 - 3:20
3:30 - 3:50 Break
3:50 - 4:40

Wednesday, March 29, 2023

Morning Session
8:00 - 9:00 Check-In/Breakfast (Hosted by IPAM)
9:00 Session Chair: Laura Grigori ( Sorbonne Université)
9:00 - 9:50
10:00 - 10:15 Break
10:15 - 11:05
11:15 - 11:30 Break
11:30 - 12:20
12:30 - 12:40 Group Photo
12:40 - 2:30 Lunch (on your own)

Afternoon Session
2:30 Session Chair: Eric Cances ( École Nationale des Ponts-et-Chaussées (ENPC))
2:30 - 3:20
3:30 - 3:50 Break
3:50 - 4:40

Thursday, March 30, 2023

Morning Session
8:00 - 9:00 Check-In/Breakfast (Hosted by IPAM)
9:00 Session Chair: Aidan Thompson ( Sandia National Laboratories)
9:00 - 9:50
Laura Grigori (Sorbonne Université)

Recent progress in using randomization for solving linear algebra problems

10:00 - 10:15 Break
10:15 - 11:05
Eric Cances (École Nationale des Ponts-et-Chaussées (ENPC))

Error estimators for Density-Functional Theory
PDF Presentation
11:15 - 11:30 Break
11:30 - 12:20
12:30 - 2:30 Lunch (on your own)

Afternoon Session
2:30 Session Chair: Graeme Henkelman ( University of Texas at Austin)
2:30 - 3:20
3:30 - 3:50 Break
3:50 - 4:40 Panel Discussion

Friday, March 31, 2023

Morning Session
8:00 - 9:00 Check-In/Breakfast (Hosted by IPAM)
9:00 Session Chair: Danny Perez ( Los Alamos National Laboratory)
9:00 - 9:50
10:00 - 10:15 Break
10:15 - 10:45
10:45 - 11:05
11:15 - 11:30 Break
11:30 - 12:20