Computational Approaches to Extreme Quantum Functional Matter

Abstract

Study of quantum materials under extreme conditions require novel theoretical and computational approaches that can incorporate complexities from the presence of multiple degrees of freedom and quantum entanglement in correlated systems. Recent theoretical and computational studies of quantum functional matter focus on capturing this fascinating interplay and its outcome via employments of the state-of-the-art ab initio electronic structure methods, machine learning, and tensor network methodologies. In this article we would like to briefly outline plans and objectives of the quantum functional matter research.