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Showing 1 to 1 of 1 for “"fitting interatomic potentials"”.
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Fitting Interatomic Potentials to Reproduce Phase Transitions
… a large number of atoms. These so called “interatomic potentials” take a variety of forms ranging from the simple Lennard-Jones potential to machine learning potentials. They are usually fitted for specific structures as well as pressure and temperature realms and do not necessarily …