Y-Chao's website

“The important thing is not to stop questioning. Curiosity has its own reason for existing.” —— Albert Einstein

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National University of Singapore

Block S8, Science Drive 3

Singapore 117543

I am a postdoctoral fellow at the National University of Singapore, where I focus on understanding catalyst stability under working conditions using machine learning techniques. My research also investigates diverse catalytic reaction mechanisms and their fundamental principles. In addition, I am expanding my expertise in applying artificial intelligence to catalysis, with a particular interest in machine learning interatomic potentials and generative models for catalyst and reaction pathway design.

News

Jun 06, 2025 The website was initially released.

Latest posts

Selected publications

  1. Catalytic system
    Electrocatalytic CO2 Upgrading to Triethanolamine by Bromine-Assisted C2H4 Oxidation
    Qihao Wang, Chao Yang, Yaqin Yan, and 6 more authors
    Angewandte Chemie International Edition, 2023
  2. Catalysts
    Promoting CO Electroreduction to C2+ Oxygenates by Distribution of Water Dissociation Sites
    Chao Yang, Yaqin Yan, Yuncheng Hu, and 5 more authors
    Small Methods, 2025
  3. Catalysts
    Efficient Photocatalytic CH4-to-Ethanol Conversion by Limiting Interfacial Hydroxyl Radicals Using Gold Nanoparticles
    Quan Zhang, Chao Yang, Yangshen Chen, and 6 more authors
    Angewandte Chemie International Edition, 2025