Shukai Yao

Shukai Yao works in computational and materials chemistry, using methods like density functional theory (DFT) to study the structure and properties of materials under different conditions, including ice phases, battery-related solid electrolytes, catalytic surfaces, and correlated electron materials. This research combines quantum chemistry simulations with topics in solid-state physics and materials science to understand vibrational, electronic, and catalytic behavior at the atomic scale.

Publication output has been modest and fluctuating over the last decade, with roughly 1-3 papers per year and no clear sustained growth trend.

Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026