Heterogeneous Catalysis
Catalysis
Catalysis
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
Fast Reactions
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Updated: Jun 13, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Zhuo Qun Zheng1, Xiao Ping Zhou
1Department of Chemical Engineering, Hunan University, Changsha, China.
High-throughput experimentation (HTE) accelerates catalyst discovery by rapidly synthesizing and testing numerous candidates. This review covers recent HTE advancements in catalyst library design, reactor systems, and data analysis.
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