Dongxiao Chen

Machine-learning atomic simulation for heterogeneous catalysis

Dongxiao Chen, Cheng Shang, Zhi‐Pan Liu · npj Computational Materials · 2023 · 82 citations · Full text

Natural Sciences, Chemistry, Catalysis +15

An Empirical Comparison of Pre-Trained Models of Source Code

Changan Niu, Chuanyi Li, Vincent Ng et al. · 2023 · 72 citations

Computing, Computer Science, Machine Learning +10

Square-pyramidal subsurface oxygen [Ag4OAg] drives selective ethene epoxidation on silver

Dongxiao Chen, Lin Chen, Qiancheng Zhao et al. · Nature Catalysis · 2024 · 61 citations

Natural Sciences, Chemistry, Materials Science +11

Active Site of Catalytic Ethene Epoxidation: Machine-Learning Global Pathway Sampling Rules Out the Metal Sites

Dongxiao Chen, Pei‐Lin Kang, Zhi‐Pan Liu · ACS Catalysis · 2021 · 43 citations

Natural Sciences, Chemical Engineering, Chemistry +15

An optimal Fe–C coordination ensemble for hydrocarbon chain growth: a full Fischer–Tropsch synthesis mechanism from machine learning

Qianyu Liu, Dongxiao Chen, Cheng Shang et al. · Chemical Science · 2023 · 26 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17