The quest for developing technologies for manipulating and storing information quantum mechanically is currently led by approaches based on Josephson-junctions, ion-traps, and qubits generated by defect spins in solids. Topological qubits, however, are inherently more robust to decoherence by environmental effects, and should be able to sprint ahead once various practical barriers have been overcome. At the present early stage of the development of the field, it is important to explore a variety of architectures and materials beyond the conventional paradigms in order to seed breakthroughs toward building a scalable quantum computer.

Materials discovery effort in two-dimensional (2D) compounds can aid the search for defect structures suitable as qubits and materials that can host Majorana zero modes. Our team members have made seminal advances in the successful theoretical prediction and discovery of many new topological materials. We are undertaking a comprehensive theoretical research program to address a number of important areas of interest in connection with the next-generation quantum information systems (QISs) as follows: