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40 积分 2022-09-20 加入
Efficient Global Structure Optimization with a Machine-Learned Surrogate Model
3个月前
已完结
Recommended Practices and Benchmark Activity for Hydrogen and Oxygen Electrocatalysis in Water Splitting and Fuel Cells
4个月前
已完结
Using metadynamics to explore complex free-energy landscapes
4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
4个月前
已完结
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
5个月前
已完结
Enabling direct H2O2 production through rational electrocatalyst design
5个月前
已完结
Analysis of the OH Coverage on Low-Coordinated Pt Sites at Low Potentials
5个月前
已完结
The nature of the active site in heterogeneous metal catalysis
6个月前
已完结
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