Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

DOI10.1137/15M1054183zbMath1403.70008arXiv1512.06054MaRDI QIDQ5298155

Alexander V. Shapeev

Publication date: 13 December 2016

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1512.06054

zbMATH Keywords

machine learning; interatomic potentials; moment tensor potentials

Mathematics Subject Classification ID

68Q32: Computational learning theory

70G10: Generalized coordinates; event, impulse-energy, configuration, state, or phase space for problems in mechanics

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Uses Software

• mftoolbox

Cites Work

• Theory of compressive sensing via \(\ell_1\)-minimization: a non-RIP analysis and extensions
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• Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
• Norms and exclusion theorems
• QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model
• Taylor expansion of the accumulated rounding error
• Functions of Matrices
• Wavelet Scattering Regression of Quantum Chemical Energies
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