Local surrogate models for harmonic vibrational entropy in multilattices achieve linear scaling with sublattice-resolved locality proofs and controlled truncation error on finite-range models.
Latticegreenfunctionforextendeddefectcalculations: Computationanderrores- timationwithlong-rangeforces
2 Pith papers cite this work. Polarity classification is still indexing.
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UA-NEB and UA-Dimer embed covariance into oblique projections and weighted rotations within NEB and Dimer frameworks, yielding 21-56% error reductions on analytic and tungsten-vacancy benchmarks under a local Lyapunov stability hypothesis.
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Local Surrogates for Harmonic Vibrational Entropy in Multilattices
Local surrogate models for harmonic vibrational entropy in multilattices achieve linear scaling with sublattice-resolved locality proofs and controlled truncation error on finite-range models.
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Geometry-Preserving Nudged Elastic Band and Dimer Methods under Anisotropic Force Uncertainty
UA-NEB and UA-Dimer embed covariance into oblique projections and weighted rotations within NEB and Dimer frameworks, yielding 21-56% error reductions on analytic and tungsten-vacancy benchmarks under a local Lyapunov stability hypothesis.