Developing balance between memory and number of cores in parallelization optimization for large system calculations based on DFT and quantum transport

This project will examine the hybrid parallelization of QuantumATK code for two large systems as typical building blocks of nanoelectronic devices.

Developing balance between memory and number of cores in parallelization optimization for large system calculations based on DFT and quantum transport

PI Dr Lida Ansari, Electronics Theory Group (ETG),

Tyndall National Institute, University College Cork (UCC).

This project will examine the hybrid parallelization of QuantumATK code for two large systems as typical building blocks of nanoelectronic devices.

Dr Ansari, said, “EuroHPC Competence Centre Academic Flagship is a fantastic programme, opening unique opportunities to optimise the calculation platform required for simulating large systems through first-principles calculations. Furthermore, such Flagship projects benefit from the support of designated experts at ICHEC from whom I have already received technical support and advice on many occasions.”