Articles with "oxygen interactions" as a keyword



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Neural network predictions of oxygen interactions on a dynamic Pd surface

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Published in 2017 at "Molecular Simulation"

DOI: 10.1080/08927022.2016.1274984

Abstract: Abstract Artificial neural networks (NNs) are increasingly common in quantum chemistry applications. These models can be trained to higher-level ab-initio calculations and are capable of achieving arbitrary levels of accuracy. The most common applications thus… read more here.

Keywords: oxygen interactions; surface; interactions dynamic; network predictions ... See more keywords