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Artificial intelligence and simulations applied to interatomic potentials
The interatomic potential is a mathematical model that describes the chemistry occurring at the atomic level. It provides a functional mapping between the atomic nuclei coordinates and the total potential energy of a system. This thesis investigates three aspects of interatomic potentials, the first...
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| Format: | Default Thesis |
| Published: |
1998
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| Online Access: | https://hdl.handle.net/2134/33255 |
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