Workshop II: Scale-Bridging Materials Modeling at Extreme Computational Scales

Part of the Long Program New Mathematics for the Exascale: Applications to Materials Science
April 17 - 21, 2023

Schedule

All times in this Schedule are Pacific Time (PT)

Monday, April 17, 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)

SESSION CHAIR: Thomas Hudson (University of Warwick)
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 - 3:20
Mitchell Luskin (University of Minnesota, Twin Cities)

Computing at the Moiré Scale
PDF Presentation
3:30 - 3:50 Break
3:50 - 4:40
Boris Kozinsky (Harvard University)

Symmetry and uncertainty-aware machine learning models of many-body atomic and electronic interactions

4:50 - 5:15 Lightning Poster Presentations
5:15 - 6:30 Poster Session & Reception (Hosted by IPAM)

Tuesday, April 18, 2023

Morning Session

SESSION CHAIR: Anna Vainchtein (University of Pittsburgh)
9:00 - 9:50
Lev Truskinovsky (Laboratoire de Physique et Mécanique des Milieux Hétérogènes)

Mesoscopic tensorial model of crystal plasticity

10:00 - 10:15 Break
10:15 - 11:05
Shenglin Huang (University of Pennsylvania)

Data-Driven Model Discovery for Non-equilibrium Processes
PDF Presentation
11:15 - 11:30 Break
11:30 - 12:20
12:30 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 2:50
3:00 - 3:15 Break
3:15 - 4:05
4:15 - 4:30 Break
4:30 - 5:20
Robert Lipton (Louisiana State University)

Fracture as an emergent phenomenon


Wednesday, April 19, 2023

Morning Session
8:00 - 8:55 Check-In/Breakfast (Hosted by IPAM)

SESSION CHAIR: Irene Beyerlein (University of California, Santa Barbara (UCSB))
9:00 - 9:50
Christoph Ortner (University of British Columbia)

Atomic Cluster Expansion with and Without Atoms

10:00 - 10:15 Break
10:15 - 11:05
11:15 - 11:30 Break
11:30 - 12:20
Thomas Swinburne (Centre National de la Recherche Scientifique (CNRS))

Learning uncertainty-aware models of defect kinetics at scale: discrete and continuous state spaces

12:30 - 2:30 Lunch (on your own)

Afternoon Session
2:30 - 3:20
3:30 - 3:50 Break
3:50 - 4:40

Thursday, April 20, 2023

Morning Session
8:00 - 8:55 Check-In/Breakfast (Hosted by IPAM)

SESSION CHAIR: Thomas Swinburne (Centre National de la Recherche Scientifique (CNRS))
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 - 3:20
Jaime Marian (University of California, Los Angeles (UCLA))

Atomic-level fluctuations in crystal plasticity simulations: Coupling diffusive and mechanical scales”

3:30 - 3:50 Break
3:50 - 4:40

Friday, April 21, 2023

Morning Session
8:00 - 8:55 Check-In/Breakfast (Hosted by IPAM)

SESSION CHAIR: VIIRGINIE EHRLACHER (École Nationale des Ponts-et-Chaussées (ENPC))
9:00 - 9:50
Amit Acharya (Carnegie Mellon University)

Slow time-scale behavior of fast microscopic dynamics

10:00 - 10:15 Break
10:15 - 11:05
Frederic Legoll (Ecole Nationale Des Ponts et Chaussees (LAMI))

Parareal algorithms for molecular dynamics simulations
PDF Presentation
11:15 - 11:30 Break
11:30 - 12:20
12:30 - 2:30 Lunch (on your own)