Publications

Pressure-induced Redox Reversal of Iron and the Distribution of Elements in Deep Earth

X. Wang, X. Feng, J. Li, Y. Lv, A. Ellis, S. Scott, A. Pandit, D. Khodagholian, R. J. Hemley, M. G. Jackson, F. J. Spera, S. A. T. Redfern, M. Miao

Proceedings of the National Academy of Sciences (2025)

DOI: 10.1073/pnas.2414911122

Batch Discovery of Complex Metal Superhydrides via an Effective Machine Learning Method Structured by Chemical Template Concept

Y. Sun, A. Ellis, X. Chen, M. Miao

Journal of the American Chemical Society (2025)

DOI: 10.1021/jacs.5c11731

Unlocking the Origin of High-Temperature Superconductivity in Molecular Hydrides at Moderate Pressures

W. Zhao, A. Ellis, D. Duan, H. Wang, Q. Jiang, M. Du, T. Cui, M. Miao

Advanced Functional Materials (2025)

DOI: 10.1002/adfm.202415910

Constructing Tunable Electrides on Monolayer Transition Metal Dichalcogenides

Y. Sun, A. Ellis, S. Diaz, Wei Li, and M. Miao

The Journal of Physical Chemistry Letters (2024)

DOI: 10.1021/acs.jpclett.4c01263

Symmetry-Aware Prediction of Electron Localization Functions from Superposed Atomic Densities

A. Ellis, M. Miao

NeurIPS 2025 Workshop (AI4Mat), Poster, published on OpenReview (September 20, 2025)

DOI: N/A

An Effective Machine Learning Frame for Materials Discovery Structured by a Chemical Concept

Y. Sun, A. Ellis, X. Chen, M. Miao

NeurIPS 2025 Workshop (AI4Mat), Poster, published on OpenReview (November 5, 2025)

DOI: N/A