Mingjie Liu

Publications

1. Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion (2024)
2. Using Computational Chemistry to Reveal Nature's Blueprints for Single-Site Catalysis of C–H Activation (2022)
3. Large-scale Screening Reveals Geometric Structure Matters More than Electronic Structure in Bioinspired Catalyst Design of Formate Dehydrogenase Mimics (2022)
4. Machine Learning Reveals Key Ion Selectivity Mechanisms in Polymeric Membranes (2022)
5. Modeling the roles of rigidity and dopants in single-atom methane-to-methanol catalysts (2022)