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40 积分 2022-09-20 加入
Efficient Global Structure Optimization with a Machine-Learned Surrogate Model
8个月前
已完结
Recommended Practices and Benchmark Activity for Hydrogen and Oxygen Electrocatalysis in Water Splitting and Fuel Cells
8个月前
已完结
Using metadynamics to explore complex free-energy landscapes
9个月前
已完结
Water structures on a Pt(111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions
9个月前
已完结
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
10个月前
已完结
Enabling direct H2O2 production through rational electrocatalyst design
10个月前
已完结
Analysis of the OH Coverage on Low-Coordinated Pt Sites at Low Potentials
10个月前
已完结
The nature of the active site in heterogeneous metal catalysis
11个月前
已完结
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