As the dimensions of electronic devices are rapidly decreasing, there is a need for a new generation of modeling tools that can accurately calculate the electrical properties of devices where atomic scale details and quantum effects are important. A promising framework for such calculations is density functional theory within the non-equilibrium Green's function formalism (NEGF-DFT). In addition, for the formalism to be applied in semiconductor device modeling it needs to be able to handle many thousands of atoms. We discuss new developments and future aspects of the method important for semiconductor device modeling; in particular we show that for important classes of systems the approach scales linearly with the system size.
- Entrepreneur and researcher with focus on atomic-scale simulations - Co-founder and CEO of Atomistix Aps, Atomistix Inc., QuantumWise A/S - Organizer of research projects with total USD 7 million in funding - Large network of researchers in academia and industry in Europe, USA and Asia - Formerly a Professor with the Copenhagen University, Denmark - Recognized researcher with 68 publications in refereed journals, > 4500 citations and 28 invited talks at international conferences - Former Member of the scientific advisory board of IRC in Nanotechnology (University of Cambridge, University College London and the University of Bristol) and the scientific advisory board of Center for Atomic-scale Materials Design (CAMD), Technical University of Denmark - Participation in the modeling section of the International Technology Roadmap for Semiconductors (ITRS) - Organizer of 3 international conferences within atomic-scale simulations