Grant: Canada Excellence Research Chairs

I am a material science physicist with a strong background in Density Functional Theory (DFT) and group theory. Currently, my research focuses on predicting novel topological phases in electronic and magnetic materials, through a combination of symmetry analysis and large-scale computer simulation. The recent synergy between quantum mechanics and topology has revolutionized our understanding of materials. According to the new paradigm, electrons in crystals are characterized by integers known as topological indices. When those indices are nonzero, the material is “topological” and its boundaries host electronic states with potentially transformative applications in electronics, sensing, and quantum computation. The advent of topological materials has been awarded the 2016 Nobel Prize in Physics. As of now, the transition of topological materials towards quantum technologies remains in its infancy. My goal is to stimulate this transition by discovering new functional topological materials. This is a highly interdisciplinary project at the nexus of physics, chemistry and computer science. A central tool for my research is Topological Quantum Chemistry (TQC), which I cocreated. TQC unifies topology and band theory, and predicts novel topological materials without the cost of calculating band structures and topological indices. Using this methodology with an interface to DFT codes and scanning the Inorganic Crystal Structure Database (ICSD), we have found that about 50% of materials display topological properties. The electronic structure and topological properties of these materials have been uploaded to a public website (www.topologicalquantumchemistry.org). In spite of this success, much work remains to be done to extend TQC. Thus far, TQC has relied on DFT calculations. Yet, DFT fails in materials with strong electronic correlations. While these materials show tantalizing physical properties, such as high-temperature superconductivity, their topological properties are not well understood. An important objective is thus to incorporate electronic correlations onto TQC. Another important open task is to bridge TQC-based materials discovery with the design of technologically useful devices. To that end, we will develop new theoretical and numerical frameworks that will allow us to study the electronic and magnetic properties of real materials in low dimensions, propose probes for their detection, and design new metamaterials.