Y-Chao's website
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. |
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Latest posts
| May 15, 2015 | Plotting analytical potential energy surface |
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Selected publications
- Catalytic systemElectrocatalytic CO2 Upgrading to Triethanolamine by Bromine-Assisted C2H4 OxidationAngewandte Chemie International Edition, 2023
- CatalystsPromoting CO Electroreduction to C2+ Oxygenates by Distribution of Water Dissociation SitesSmall Methods, 2025
- CatalystsEfficient Photocatalytic CH4-to-Ethanol Conversion by Limiting Interfacial Hydroxyl Radicals Using Gold NanoparticlesAngewandte Chemie International Edition, 2025