Research-Topic: Ab-initio based study of quantum spins on surfaces using methods based on density functional theory
About us: The IBS Center for Quantum Nanoscience (QNS) is a basic research center located in the heart Seoul, South Korea. Our working language is English, 50% of our researchers come from outside of Korea, and 55% of our researchers are women. QNS is laying the foundation for future quantum technologies by exploring the use of quantum behavior atom by atom with highest precision. We focus on the fabrication and exploration of quantum nanostructures while aiming at achieving full control over the quantum states of the constituent atoms and molecules. QNS has become a leading center in the field of quantum-coherent nanoscience by filling our world-class facility with ground-breaking tools and inquisitive minds immersed in a culture of exploration.
About the Project: In this project, we aim to predict the quantum spin state of systems where spins are located on or near a surface. These systems are interesting as they allow building quantum systems atom-by-atom in a scanning tunneling microscope. Here, we will focus on a computational approach that we developed over the past few years, where we can predict the spin states from density functional theory calculations but go beyond some of the limitations that these calculations have. The resulting method – known in literature as multiplet calculations – then allow us to make predictions of the resulting spin state for nearly any system imaginable.