OCTOBER 5–6, 2022
National Academies’ Keck Center
Washington, DC (Virtual)
DAY ONE—OCTOBER 5, 2022
| 9:30 | Welcome and Introductions |
| Olivia A. Graeve, University of California, San Diego | |
| Morning Session Chair: Stefano Curtarolo, Duke University | |
| 9:40 | Finding Thermally Robust Superhard Materials with Machine Learning |
| Jakoah Brgoch, University of Houston | |
| 10:20 | New Materials at High Pressure |
| Wendy Mao, Stanford University | |
| 11:00 | Machine Learning Tools for Predictive Simulations of Materials Under Reactive Conditions |
| Nir Goldman, Lawrence Livermore National Laboratory |
| 11:40 | A High-Throughput Approach to Obtain Structure–Property |
| Relationships: Application to Grain Boundary Structure and Mobility | |
| Eric Homer, Brigham Young University | |
| 12:20 | Lunch |
| Afternoon Session Chair: Horacio Espinosa, Northwestern University | |
| 1:10 | Ultra-High-Temperature Ceramic Phases and Compositional Complexity |
| Christopher Weinberger, Colorado State University | |
| 1:50 | Fundamental Mechanisms Under Extreme Environments and the Role of Machine learning |
| Penghui Cao, University of California, Irvine | |
| 2:30 | Break |
| 2:50 | Designing Extreme Materials at Scale with Machine Learning |
| Shyue Ping Ong, University of California, San Diego | |
| Day 1 Panel: Moderator: Joseph Poon, University of Virginia | |
| 3:30 | Panelists: |
| Aaron Stebner, Georgia Institute of Technology | |
| Douglas E. Wolfe, Pennsylvania State University | |
| Elizabeth J. Opila, University of Virginia | |
| 5:00 | Recap |
| Alisdair Davey, National Solar Observatory | |
| 5:10 | Day 1 Workshop Adjourned |
DAY TWO—OCTOBER 6, 2022
| 9:30 | Welcome and Introductions |
| Saryu Fensin, Los Alamos National Laboratory | |
| Morning Session Chair: Thomas A. Witten, University of Chicago |
| 9:40 | Thermo-Mechanical Testing and Characterization in Extreme Environments |
| Gregory B. Thompson, University of Alabama | |
| 10:20 | Status and Gaps in Thermodynamic Metrology of Materials in Extreme Environments |
| Elizabeth Rasmussen, National Institute of Standards and Technology | |
| 11:00 | Tabletop Hypervelocity Launcher and Optical Pyrometry for High-Throughput Studies of Extreme States of Molecules in Condensed Phases |
| Dana D. Dlott, University of Illinois at Urbana-Champaign | |
| 11:40 | Advanced Microscopy Techniques for Understanding Dislocation Interactions and Damage in Complex Microstructures |
| Aeriel D.M. Leonard, The Ohio State University | |
| 12:20 | Lunch |
| Afternoon Session Chair: Raymundo Arroyave, Texas A&M University | |
| 1:10 | Where Are the Atoms?: Toward Real-Time Inversion of Characterization Data |
| Maria K. Chan, Argonne National Laboratory | |
| 1:50 | Reaction Dynamics Studied Over Large Length Scales Using Integrated In Situ X-Ray Diffraction, Raman Scattering, and Scanning Electron Microscopy |
| Scott T. Misture, Alfred University | |
| 2:30 | Break |
| 2:50 | Codesign of Parsimonious Machine Learning for High-Velocity Materials Microscopy on the Edge |
| Joshua C. Agar, Drexel University | |
| Day 2 Panel Moderator: Duane D. Johnson, Iowa State University | |
| 3:30 | Panelists: |
| Mathew J. Cherukara, Argonne National Laboratory | |
| Jessica A. Krogstad, University of Illinois at Urbana-Champaign | |
| Blas P. Uberuaga, Los Alamos National Laboratory | |
| 5:00 | Final Remarks and Recap of the Workshop |
| Andrew Minor, Lawrence Berkeley National Laboratory | |
| 5:15 | Workshop Adjourned |