Yinan Xu

Yinan Xu's work uses computer simulations and machine learning to study how molecules behave and react on surfaces and inside porous materials, such as metal-organic frameworks (MOFs) and catalysts used for reactions like methane activation and CO oxidation. This research combines methods from chemistry, materials science, and computational modeling to understand chemical processes at the molecular level, with some additional work on drug-target prediction and organic chemistry.

Publication output has grown over the last decade, rising from no recorded output before 2020 to a peak of several papers per year by 2025, averaging about 4 publications annually over the last 5 years.

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