Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials
From MaRDI portal
Publication:5298155
DOI10.1137/15M1054183zbMath1403.70008arXiv1512.06054MaRDI QIDQ5298155
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
68Q32: Computational learning theory
70G10: Generalized coordinates; event, impulse-energy, configuration, state, or phase space for problems in mechanics
Related Items
Locality of interatomic forces in tight binding models for insulators, Unnamed Item, A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials, QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models, A theoretical case study of the generalization of machine-learned potentials, LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales, Locality of interatomic interactions in self-consistent tight binding models, Atomic cluster expansion: completeness, efficiency and stability, Body-ordered approximations of atomic properties, Proper orthogonal descriptors for efficient and accurate interatomic potentials
Uses Software
Cites Work
- Theory of compressive sensing via \(\ell_1\)-minimization: a non-RIP analysis and extensions
- Locality of the Thomas-Fermi-von Weizsäcker equations
- 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
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item