AMaSiS 2021 - Abstract
O'Reilly, Eoin
Tyndall National Institute, Ireland
The use of theory and modelling for device and nanostructure design and optimisation is very well established, with many applications where the input of modelling is now routine. There still remain however many challenges in materials and device modelling, almost all related to the transition from the need for a quantum-related description at the nanoscale to classical (continuum-based) descriptions at the macroscale. We overview, with examples, some of these challenges, and routes to practical multiscale models for material and device design.
Acknowledgments: The author thanks Science Foundation Ireland for support through SFI project nos. 15/IA/3082 and IPIC-2: 12/RC/2276_P2.