A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials (Q6051541): Difference between revisions

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+Atomic cluster expansion: completeness, efficiency and stability
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+Sharp Uniform Convergence Rate of the Supercell Approximation of a Crystalline Defect
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+Rang revealing QR factorizations
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+Thermodynamic limit of crystal defects with finite temperature tight binding
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+Geometry equilibration of crystalline defects in quantum and atomistic descriptions
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+QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model
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+QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing
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+Locality of interatomic forces in tight binding models for insulators
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+Analysis of boundary conditions for crystal defect atomistic simulations
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+Analysis of Stable Screw Dislocation Configurations in an Antiplane Lattice Model
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+Electronic Structure Calculations for Solids and Molecules
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+Atomistic-to-continuum coupling
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+A priori and a posteriori analysis of the quasinonlocal quasicontinuum method in 1D
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+Point defects in tight binding models for insulators
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+Construction and Sharp Consistency Estimates for Atomistic/Continuum Coupling Methods with General Interfaces: A Two-Dimensional Model Problem
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+Atomistic/Continuum Blending with Ghost Force Correction
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+Numerical Methods for Electronic Structure Calculations of Materials
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+Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials
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+Simplified LCAO Method for the Periodic Potential Problem
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