Computational Frontiers in Quantum Materials

The study of quantum materials has led to paradigm shifts in our understanding of metals, insulators and semiconductors, a vast expansion of the scope of topological matter, and the potential for new forms of quantum computation and emergent phenomena that may revolutionize future technologies. An enormous component of this effort has stemmed from materials discovery and exploration led by theoretical and computational advances in the simulation of materials from first principles.

In this Micro Working Group we will explore ideas and techniques to combine the power of first principles methods, high-throughput materials prototyping and big data tools (network and graph analysis) to expand the frontiers of computational methods for the study of quantum materials.