Concepedia

Efficient Machine-Learning-Aided Screening of Hydrogen Adsorption on Bimetallic Nanoclusters

Marc O. J. Jäger, Yashasvi S. Ranawat, Filippo Federici Canova, Eiaki V. Morooka, Adam S. Foster

ACS Combinatorial Science · 2020 · 40 citations · 53 references

DOIFull text

Open access

Concepts

Abstract

is correlated strongly with adsorption energies and could be a useful screening property accessible at the nanocluster level.

References

53

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Visualizing Data using t-SNE

Laurens van der Maaten, Geoffrey E. Hinton · Journal of Machine Learning Research · 2008 · 35.7K citations

, , +13

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

, , +10

Ror2 signaling regulates Golgi structure and transport through IFT20 for tumor invasiveness

Michiru Nishita, Seung‐Yeol Park, Tadashi Nishio et al. · Scientific Reports · 2017 · 16.1K citations · Full text

, , +17