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It is shown that the latter two ab initio methods offer complementary information and their results are fairly consistent with the available data.
The complementary, high-level ab initio studies supplement experimental findings, enhancing the interpretation and helping to remove the often-present ambiguities.
In particular, we show how the use of a large ab initio database can overcome the problem of overfitting an empirical potential to a limited set of data.
Journal ArticleDOI
Ilie Fishtik, Ravindra Datta 
20 Citations
These new findings provide a remarkable interpretation and direct comparison of the accuracies and capabilities of the GA and ab initio methods.
Our results add to the existing ab initio database for use in fitting and testing interatomic potentials.
This work is unique due to its coverage of ab-initio pilots, and the results presented here may facilitate improvements in the evaluation of individual ab-initio pilots and the teaching environment for stress contributing factors.

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