Rate My Professor Yizhou Zhu

Yizhou Zhu, Ph.D., is a tenure-track Assistant Professor in the Department of Materials Science and Engineering, School of Engineering at Westlake University, where she leads the Computational Materials Lab. She also holds an affiliated faculty position in the School of Physics. Her research focuses on the fundamental understanding and rational design of functional materials through computational approaches, including artificial intelligence for materials science, computational materials science, first-principles calculations, machine learning potentials, and applications in energy storage such as solid electrolytes, battery interfaces, and crystal structure prediction. Her lab employs advanced techniques like equivariant diffusion models and neuroevolution potentials to accelerate materials discovery.

Yizhou Zhu earned her B.S. degree in Physics in 2011 and M.S. degree in Nuclear Technology in 2014, both from Peking University. She obtained her Ph.D. in Materials Science and Engineering from the University of Maryland, College Park, followed by postdoctoral research at Northwestern University. She joined Westlake University in September 2021. Her group has published in leading journals including Nature Communications, Advanced Materials, and ACS Nano. Key publications include 'Equivariant diffusion solution for inorganic crystal structure prediction' (Nature Communications, 2026), 'Stabilizing Interlayer Repulsion in Layered Sodium-Ion Oxide Cathodes via d-Promoted Cation Mixing' (Advanced Materials, 2024), 'Regulating Surface Faceting as a Kinetic Switch for Core/Shell Nanoparticle Synthesis' (ACS Nano, 2026), 'Rational Design of High-Entropy Garnet Electrolytes via Machine Learning-Accelerated High-Throughput Screening' (Advanced Materials, 2025), and 'qNEP: A Highly Efficient Neuroevolution Potential with ab initio Accuracy' (Journal of Chemical Theory and Computation, 2026). These contributions have advanced the field of computational materials design for sustainable energy technologies.