Exploration of New High-Entropy Materials Enabled by Quantum Computing

High-entropy materials (HEMs) represent a promising category of materials with multiprincipal elements and a wide range of molar ratios, offering novel solutions to critical challenges in energy and the environment ranging from climate change to semiconductor chip shortages. Within this material family, high-entropy catalysts, oxides, semiconductors, superconductors, ceramics, and more have gained prominence. The common challenge among these diverse frontiers lies in the selection of elements and their molar ratios across the extensive compositional space. In this talk, we will explore emerging quantum computing technologies, encompassing quantum simulators and hardware, to effectively address the complex task of elemental design and contribute to the discovery of novel HEMs. Furthermore, we will highlight the potential of quantum machine learning algorithms in expediting the training process. Lastly, we outline several prospective directions for HEM research that can benefit significantly from the transformative capabilities of quantum computing.