Moment tensor Potentials as a Promising Tool to Study Diffusion Processes

A recently proposed class of machine-learning interatomic potentials --- Moment tensor potentials (MTPs) --- is investigated in this work. MTPs are able to actively select configurations and parametrize the potential on-the-fly. It is shown that MTPs accurately reproduce energies, forces and stresse...

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Bibliographic Details

Main Authors:	Novoselov, I. I, Yanilkin, A. V, Shapeev, A. V, Podryabinkin, E. V
Format:	Journal Article
Language:	English
Published:	07-12-2018
Subjects:	Physics - Computational Physics
Online Access:	Get full text
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