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Personen: Kirk H. Bevan
Biochemistry
8
Biological Sciences not elsewhere classified
8
Chemical Sciences not elsewhere classified
8
Information Systems not elsewhere classified
8
Space Science
8
based ml methods
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catalytic applications
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catalytic binding energies
8
chemical intuition
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dependent vector
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dimension equal
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distinct departure
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either relaxed
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employing ml methods
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entire pdos distribution
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feature space
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given machine learning
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impurity embeddings
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intrinsic dimensionality
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intrinsic feature space
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machine learning
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maximally correlate
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maximally correlates
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model system
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orbital projected density
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pdos distribution
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physical property
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powerful tools
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predict binding energies
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predictive accuracy
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predictive benefit
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predictive capability
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predictive capacity
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predictive feature
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predictive feature space
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projection visualization
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provide significant improvements
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reductionist approach
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saa impurities
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saa substrates
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sabatier principle
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semicore level properties
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single atom alloys
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sites examined
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transferability characteristics
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two parts
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underlying binding properties
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uniform manifold approximation
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unrelaxed chemical datasets
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vicinal cuts
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