Advanced numerical methods for materials engineering and design
Huan Tran, Georgia Institute of Technology
0000-0002-8093-9426
ACCESS Allocation Request DMR170031
| Abstract: | We propose to develop a database of solid materials, computationally predicted to be superconductors at different conditions, and use it to train some deep-learning (DL) models. This database will be highly diverse and comprehensive, containing the atomic structures of thousands of materials, and $\lambda$ and $\omega_{\log}$, two parameters of the electron-phonon interactions using which potential superconductivity may be predicted. The diversity of the database will be emphasized, giving some bias toward materials that are connected with high critical temperature. The targeted DL models will be deployed in www.matsml.org and made accessible to the academic research community. | |
Allocations:
| 2023 | SDSC Expanse CPU | 953,377.0 Core-hours |
| 2023 | SDSC Expanse Projects Storage | 500.0 GB |
| The estimated value of these awarded resources is $4,219.86. The allocation of these resources represents a considerable investment by the NSF in advanced computing infrastructure for the U.S. The dollar value of the allocation is estimated from the NSF awards supporting the allocated resources. | ||
| 2022 | SDSC Expanse CPU | 1,950,000.0 Core-hours |
| 2022 | SDSC Expanse Projects Storage | 1,000.0 GB |
| The estimated value of these awarded resources is $8,630.00. The allocation of these resources represents a considerable investment by the NSF in advanced computing infrastructure for the U.S. The dollar value of the allocation is estimated from the NSF awards supporting the allocated resources. | ||
| 2021 | SDSC Dell Cluster with Intel Haswell Processors (Comet) | 255,000.0 SUs |
| 2021 | SDSC Expanse CPU | 650,000.0 Core-hours |
| 2021 | SDSC Expanse Projects Storage | 500.0 GB |
| 2021 | SDSC Medium-term disk storage (Data Oasis) | 500.0 GB |
| The estimated value of these awarded resources is $6,892.00. The allocation of these resources represents a considerable investment by the NSF in advanced computing infrastructure for the U.S. The dollar value of the allocation is estimated from the NSF awards supporting the allocated resources. | ||
| 2019 | SDSC Dell Cluster with Intel Haswell Processors (Comet) | 1,441,749.0 SUs |
| 2019 | SDSC Medium-term disk storage (Data Oasis) | 500.0 GB |
| The estimated value of these awarded resources is $21,808.24. The allocation of these resources represents a considerable investment by the NSF in advanced computing infrastructure for the U.S. The dollar value of the allocation is estimated from the NSF awards supporting the allocated resources. | ||
| 2017 | SDSC Dell Cluster with Intel Haswell Processors (Comet) | 370,426.0 SUs |
| 2017 | SDSC Medium-term disk storage (Data Oasis) | 2,048.0 GB |
| 2017 | TACC Dell/Intel Knights Landing, Skylake System (Stampede2) | 15,523.0 Node Hours |
| 2017 | TACC Long-term tape Archival Storage (Ranch) | 1,024.0 GB |
| The estimated value of these awarded resources is $10,382.83. The allocation of these resources represents a considerable investment by the NSF in advanced computing infrastructure for the U.S. The dollar value of the allocation is estimated from the NSF awards supporting the allocated resources. | ||
Other Titles:
Click to show/hide prior titles »| Development and applications of advanced numerical methods for materials engineering and design |