Quantum Transport Simulations at Nanoscale: New Materials and Nanoelectronic Devices
In recent years, the field of nanoelectronics has experienced significant progress due to the widespread adoption of computers and smartphones. This progress has fueled the demand for innovative nanomaterials that can enhance performance and explore new applications. Our research is dedicated to gaining a theoretical understanding of future nanoelectronic materials and devices, with a focus on exploiting the opportunities offered by quantum mechanics, unlike traditional electronics.
During my talk, I will discuss state-of-the-art methods that combine density functional theory (DFT) and nonequilibrium Green's functions (NEGF) for quantum transport simulations. These advanced techniques enable us to accurately model and analyze the transport properties of functional nanomaterial devices, providing valuable insights for diverse applications, including gas sensors, DNA sequencing, and spintronics. I will explore the underlying principles of these simulations, the challenges, and the exciting possibilities for the future of nanoelectronics.