Project

Development of coupled quantum mechanical and electromagnetic (QM/EM) modeling techniques for nanoelectronic devices within the time-dependent density functional theory (TDDFT) framework.

Code
01D00922
Duration
01 October 2022 → 30 September 2026
Funding
Regional and community funding: Special Research Fund
Research disciplines
  • Engineering and technology
    • Modelling not elsewhere classified
    • Nanoelectronics
Keywords
Computational physics nanoelectronics electromagnetism quantum mechanics
 
Project description

This project targets the development of novel ab initio modelling techniques that yield a deep insight in the physics and design of nanoelectronic devices. The methods leverage time-dependent density functional theory, allowing for an efficient and accurate description of the quantum mechanical many-particle behavior and the interaction with electromagnetic fields. Flexible discretization schemes will be implemented to tackle multiscale aspects.