# Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

@article{Shapeev2016MomentTP, title={Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials}, author={Alexander V. Shapeev}, journal={Multiscale Model. Simul.}, year={2016}, volume={14}, pages={1153-1173} }

Density functional theory offers a very accurate way of computing materials properties from first principles. However, it is too expensive for modelling large-scale molecular systems whose properties are, in contrast, computed using interatomic potentials.
The present paper considers, from a mathematical point of view, the problem of constructing interatomic potentials that approximate a given quantum-mechanical interaction model. In particular, a new class of systematically improvable…

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