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A Priori Analysis of a Higher Order Nonlinear Elasticity Model for an Atomistic Chain with Periodic Boundary Condition
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A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects
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A Posteriori Analysis and Adaptive Algorithms for Blended Type Atomistic-to-Continuum Coupling with Higher-Order Finite Elements
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A Framework for a Generalisation Analysis of Machine-learned Interatomic Potentials
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A Foundation Model for Atomistic Materials Chemistry
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A Conformal Prediction Framework for Uncertainty Quantification in Physics-Informed Neural Networks
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