Pages that link to "Item:Q5237781"
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The following pages link to Geometry equilibration of crystalline defects in quantum and atomistic descriptions (Q5237781):
Displaying 21 items.
- Analysis of boundary conditions for crystal defect atomistic simulations (Q338109) (← links)
- Locality of the Thomas-Fermi-von Weizsäcker equations (Q524307) (← links)
- The differential geometry of elementary point and line defects in Bravais crystals (Q921617) (← links)
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018 (Q1731981) (← links)
- Adaptive QM/MM coupling for crystalline defects (Q1988149) (← links)
- Locality of interatomic interactions in self-consistent tight binding models (Q2022692) (← links)
- Body-ordered approximations of atomic properties (Q2675797) (← links)
- QM/MM methods for crystalline defects. I: Locality of the tight binding model (Q2806407) (← links)
- Point defects in tight binding models for insulators (Q3388782) (← links)
- Role of the defect core in energetics of vacancies (Q3561995) (← links)
- DEFECTIVE VERTEX CONFIGURATIONS IN QUASICRYSTALLINE STRUCTURES (Q4299801) (← 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)
- Geometry equilibration of crystalline defects in quantum and atomistic descriptions (Q5237781) (← links)
- QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing (Q5737748) (← 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)
- Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics (Q6158095) (← links)
- Stability of the minimum energy path (Q6191364) (← links)
- A posteriori error estimate and adaptivity for QM/MM models of crystalline defects (Q6566079) (← links)
