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Published in 2022 at "Nanoscale"
DOI: 10.1039/d2nr00364c
Abstract: The use of the mischmetal alloy, comprised of La and Ce in 1 : 3 ratio, as a partial substitute for Sm in the CaCu5-type structure is explored, as a means for the search of viable alternatives…
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Keywords:
neural network;
magnetic properties;
network predictions;
initio artificial ... See more keywords
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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…
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Keywords:
oxygen interactions;
surface;
interactions dynamic;
network predictions ... See more keywords
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Published in 2022 at "Machine Learning"
DOI: 10.48550/arxiv.2206.04976
Abstract: Recent work has shown learning systems can use logical background knowledge to compensate for a lack of labeled training data. Many methods work by creating a loss function that encodes this knowledge. However, often the…
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Keywords:
neural network;
knowledge;
background knowledge;
network predictions ... See more keywords