Pages that link to "Item:Q2806407"
From MaRDI portal
The following pages link to QM/MM methods for crystalline defects. I: Locality of the tight binding model (Q2806407):
Displaying 28 items.
- Locality of the Thomas-Fermi-von Weizsäcker equations (Q524307) (← links)
- A factorizable formulation of tight binding (Q1122971) (← links)
- Thermodynamic limit of crystal defects with finite temperature tight binding (Q1783964) (← links)
- Adaptive QM/MM coupling for crystalline defects (Q1988149) (← links)
- Locality of interatomic interactions in self-consistent tight binding models (Q2022692) (← links)
- Atomic cluster expansion: completeness, efficiency and stability (Q2133699) (← links)
- Thermodynamic limit of the transition rate of a crystalline defect (Q2204772) (← links)
- Multiscale real-space quantum-mechanical tight-binding calculations of electronic structure in crystals with defects using perfectly matched layers (Q2424418) (← links)
- Body-ordered approximations of atomic properties (Q2675797) (← links)
- Point defects in tight binding models for insulators (Q3388782) (← links)
- The Effect of Crystal Symmetries on the Locality of Screw Dislocation Cores (Q4631729) (← links)
- Incommensurate Heterostructures in Momentum Space (Q4643805) (← links)
- Analysis of an atomistic model for anti-plane fracture (Q4973282) (← links)
- Locality of interatomic forces in tight binding models for insulators (Q4994018) (← links)
- A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods (Q5005208) (← links)
- A Posteriori Error Estimate and Adaptive Mesh Refinement Algorithm for Atomistic/Continuum Coupling with Finite Range Interactions in Two Dimensions (Q5162000) (← links)
- Blended Ghost Force Correction Method for 3D Crystalline Defects (Q5163224) (← links)
- Geometry equilibration of crystalline defects in quantum and atomistic descriptions (Q5237781) (← links)
- Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials (Q5298155) (← links)
- QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing (Q5737748) (← links)
- Electronic Density of States for Incommensurate Layers (Q5737759) (← links)
- A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials (Q6051541) (← links)
- QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models (Q6109117) (← links)
- A theoretical case study of the generalization of machine-learned potentials (Q6125490) (← links)
- Polynomial approximation of symmetric functions (Q6140849) (← links)
- Modeling of electronic dynamics in twisted bilayer graphene (Q6554470) (← links)
- A posteriori error estimate and adaptivity for QM/MM models of crystalline defects (Q6566079) (← links)
- Atomic cluster expansion without self-interaction (Q6614977) (← links)
