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The Entropy for Energy ( S4E ) laboratory focuses on the discovery of materials for clean and renewable energy. Specifically, the S4E lab looks to leverage the stabilizing effects of disorder to innovate clean hydrogen production, nuclear-waste immobilization, waste-heat conversion, and energy storage. The research is in line with the Materials Genome Initiative (MGI): employing high-throughput first-principles calculations and machine learning/artificial intelligence algorithms for accelerated discovery and deployment of new materials.

The group actively develops the aflow++ software framework for autonomous materials design. It has been used to generate one of the largest databases for inorganic materials, the aflow.org repositories, containing millions of compounds each characterized by hundreds of properties. The software framework and repositories have been employed for the discovery of new magnets (the first ever designed by computational approaches), superalloys, high-entropy carbides, and phase change memory compositions. The work has been featured as part of the White House’s Office of Science & Technology Policy 2021 MGI Strategic Plan.

The S4E lab is hiring masters/PhD students and postdoctoral researchers with backgrounds in materials science, physics, chemistry, and computer science. Click here to apply.