Agenda in PDF format (19 KB).
Monday, November 2
Evening meeting at 7 pm in the Lincoln Room for chairs and breakout leads to discuss the next day’s activities.
Tuesday, November 3
| Time | Topic | Speaker |
|---|---|---|
| 7:30 | Registration, Refreshments | |
| 8:30 | Welcome & Introductions | Michael Banda, Tom Devereaux, Theresa Windus |
| 8:40 | View from Basic Energy Sciences | Harriet Kung Associate Director, BES |
| 9:20 | Genesis of this Meeting | Barb Helland, ASCR |
| 9:50 | Transformative Opportunities to Enable the Transformative Opportunities | John Sarrao, Los Alamos National Laboratory |
| 10:20 | Break | |
| 10:40 | BES Facilities: Data Production, Analysis, & Storage | Craig Tull, Lawrence Berkeley National Laboratory |
| 11:10 | Requirements Gathering for ASCR Facilities | Katherine Riley, Argonne National Laboratory |
| 11:50 | Charge to Working Groups | Michael Banda, Tom Devereaux, Theresa Windus |
| 12:10 | Working Lunch | |
| 1:00 | Breakout Sessions: Science Drivers | |
| Quantum Materials, Core Challenges in Heavy-Element Chemistry, Exotic States, Emergence | Aurora Clark, Washington State University; Andy Millis, Columbia University | |
| Catalysis, Photosynthesis, Light Harvesting, Combustion | Laura Gagliardi, University of Minnesota; Thanks Panagiotopoulos, Princeton University |
|
| Materials & Chemical Discovery | Ilya Siepmann, University of Minnesota; Chris Wolverton, Northwestern University | |
| Computing & Data Challenges @ BES Facilities | Thomas Proffen, Oak Ridge National Laboratory | |
| 2:30 | Break | |
| 2:50 | Breakout Sessions: Science Drivers | |
| 4:00 | Break | |
| 4:15 | Preliminary Reports, Breakout Leads, 15 minutes each | |
| 5:30 | Q&A: | Harriet Kung Associate Director, BES; Steve Binkley Associate Director, ASCR |
Wednesday, November 4
| Time | Topic | Speaker |
|---|---|---|
| 8:00 | Refreshments | |
| 8:30 | Computational materials science: a multi-disciplinary enterprise | Thomas Schulthess, Director, Swiss National Supercomputing Center, ETH Zurich |
| 9:10 | Summary by Chairs, Outline of Report | Michael Banda, Tom Devereaux, Theresa Windus |
| 9:30 | Break | |
| 10:00 | Breakouts – Continuation of 1:00 PM Tuesday Sessions; Outline Sections, Start Writing | |
| Quantum Materials, Core Challenges in Heavy-Element Chemistry, Exotic States, Emergence | Aurora Clark, Washington State University; Andy Millis, Columbia University | |
| Catalysis, Photosynthesis, Light Harvesting, Combustion | Laura Gagliardi, University of Minnesota; Thanks Panagiotopoulos, Princeton University |
|
| Materials & Chemical Discovery | Ilya Siepmann, University of Minnesota; Chris Wolverton, Northwestern University | |
| Computing & Data Challenges @ BES Facilities | Thomas Proffen, Oak Ridge National Laboratory | |
| 12:00 | Working Lunch | |
| 1:00 | Breakout Sessions: Computing Landscape | |
| Next Generation Programming | Jackie Chen, Sandia National Laboratories; Anouar Benali, Argonne National Laboratory | |
| Advances in Quantum Algorithms | Mark Gordon, Iowa State University; Paul Kent, Oak Ridge National Laboratory | |
| Math & Computer Science | Jamie Sfethian, University of California, Berkeley; Lori Diachin, Lawrence Livermore National Laboratory | |
| Data Management, Analytics, Visualization & Preservation | Craig Tull, Lawrence Berkeley National Laboratory; Kerstin Kleese van Dam, Brookhaven National Laboratory | |
| Soft Matter, Biochemistry, Bioinspired Materials: Included here are Multiscale Methods & Algorithms and Classical Molecular Dynamics | Pray Vashishta, University of Southern California; Mark Stevens, Sandia National Laboratories | |
| 2:30-2:50 | Break | |
| 4:00 | Break | |
| 4:20 | Reports on Wednesday Breakouts, Breakout Leads, 15 minutes each | |
| 5:20 | Summary and Thanks from Chairs | |
| 5:45 | End for Most Participants |
Thursday, November 5
| Time | Topic | Participants |
|---|---|---|
| 8:30 | Cochairs, Leads, Writers meet to continue working on report | |
| 12:00 | Adjourn |