Machine learning scheme for fast extraction of chemically interpretable interatomic potentials
We present a new method for a fast, unbiased and accurate representation of interatomic interactions. It is a combination of an artificial neural network and our new approach for pair potential reconstruction. The potential reconstruction method is simple and computationally cheap and gives rich inf...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2016-08-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4961886 |