Support calculations for large-scale radiation damage simulations
| Title: |
Support calculations for large-scale radiation damage simulations |
| DNr: |
NAISS 2024/22-710 |
| Project Type: |
NAISS Small Compute |
| Principal Investigator: |
Artur Tamm <research@arturtamm.ee> |
| Affiliation: |
Uppsala universitet |
| Duration: |
2024-05-15 – 2025-06-01 |
| Classification: |
10304 |
| Keywords: |
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Abstract
The goal of this project is to carry out supporting calculations and software
development large computations necessary for achieving the research goals of
the ANITA project, funded by Energimyndiheten, industry and Uppsala
University. These include large-scale molecular dynamics, TDDFT and DFT
calculations to study the radiation damage in the materials targeted for
small modular reactors. Moreover, the project will be used to carry out
analysis of the results obtained from large scale simulations.
We plan to carry out software development of the USER-EPH package (github.com/llnl/user-eph) to add new functionality into the model and to improve its performance.
Finally, a portion of the resources will be used to support the doctoral thesis
of an Uppsala University student.
