How to cite MLIP

Here are major publications that describe the MTPs:

  • Moment Tensor Potentials: a class of systematically improvable interatomic potentials (A.V. Shapeev), Multiscale Model. Simul., volume 14, pages 1153-1173, 2016. [bibtex] [pdf] [doi] [arXiv].

and active learning which is in

  • Active Learning of Linearly Parametrized Interatomic Potentials (E. V. Podryabinkin, A. V. Shapeev), Computational Materials Science, volume 140, pages 171-180, 2017. [bibtex] [doi] [arXiv]

Multicomponent potentials:

  • Accelerating high-throughput searches for new alloys with active learning of interatomic potentials (Konstantin Gubaev, Evgeny V. Podryabinkin, Gus L. W. Hart, Alexander V. Shapeev)Computational Materials Science, volume 156, pages 148–156, 2019. [bibtex] [pdf] [doi] [arXiv]