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HPC Computing Time Project

Funded computing time projects with assessment

03.10.2025

2020-2021  STZ-vortex unit: the key to understand and tailor the deformation behavior of metallic 
                   glasses and their composites
(Lichtenberg HPC, TU Darmstadt, Germany) - Total
                   CPU time: 3.00.000 core-hours (PI: Daniel Sopu).

2021-2022  Atomistic simulation of decomposition phenomena in W and Fe based alloys in fusion
                  applications
(International Fusion Energy Research Centre, Japan) – Total CPU
                  time 13.823.616 core-hours (PI: Daniel Sopu, Collaborators: Lorenz Romaner, Daniel   
                  Scheiber).

2022-2023  Atomistic simulation of decomposition phenomena in W and Fe based alloys in fusion
                  applications
- prolongation (International Fusion Energy Research Centre, Japan) – 
                  Total CPU time 7.083.696 core-hours (PI: Daniel Sopu, Collaborators: Lorenz  
                  Romaner, Daniel Scheiber).

2022-2023  Interface-related deformation phenomena in metallic glass/high entropy          
                   nanolaminates
(Lichtenberg HPC, TU Darmstadt, Germany) - Total CPU time: 
                   2.600.000 core-hours (PI: Daniel Sopu).

2022-2023  Atomistic design of W and Fe-based alloys for fusion applications (Marconi, Cineca 
                   HPC
, Italy) – Total CPU  5.179.200 core-hours and GPU 18.000 node-hours (PI:
                   Daniel Sopu, Collaborators: Lorenz Romaner, Daniel Scheiber).

2023-2024  Crack-healing mechanisms in high entropy alloys under ion irradiation (Lichtenberg           
                   HPC, TU Darmstadt, Germany) - Total CPU time: 3.100.000 core-hours (PI: Daniel 
                   Sopu).

2024-2025  Machine learning enhanced atomistic simulations of self-healing in reactor materials
                   (Marconi, Cineca HPC, Italy) – Total CPU 7.683.840 core-hours and GPU 17.986
                   node-hours (PI: Daniel Sopu, Collaborators: Lorenz Romaner, Daniel Scheiber).

2024-2025 Microsecond time scale MD simulations of relaxation dynamics in metallic glasses 
                  (Lichtenberg HPC, TU Darmstadt, Germany) - Total CPU time: 5.000.000 core-hours 
                  (PI: Daniel Sopu).

2025-2026  Machine learning enhanced atomistic simulations of self-healing in reactor materials
                   (Marconi, Cineca HPC, Italy) – Total CPU  5.120.000 core-hours and GPU 12.000
                   node-hours (PI: Daniel Sopu, Collaborators: Lorenz Romaner, Daniel Scheiber).

2025-2026 Metallic Glass Relaxation: Long Time Dynamics and Delution Response (Lichtenberg
                  HPC, TU Darmstadt, Germany
) - Total CPU time: 9.000.000 core-hours and GPU
                  17.280  (PI: Daniel Sopu).

Total: 58.890.352 core-hours