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- [ Interface, no strain minimization (Python Transformation)] ( materials/interface-with-python.md )
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- [ Interface, minimal strain (JupyterLite Session)] ( materials/jupyterlite-zsl.md )
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- [ Import materials from files in various formats] ( materials/import-from-files.md )
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+ - Reproducing Specific Manuscripts:
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+ - [ Substitutional Point Defects in Graphene] ( materials/specific/defect-point-substitution-graphene.md )
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+ - [ Vacancy-Substitution Pair Defects in GaN] ( materials/specific/defect-point-pair-gallium-nitride.md )
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+ - [ Vacancy Point Defect in h-BN] ( materials/specific/defect-point-vacancy-boron-nitride.md )
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+ - [ Interstitial Point Defect in SnO] ( materials/specific/defect-point-interstitial-tin-oxide.md )
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+ - [ Island Surface Defect Formation in TiN] ( materials/specific/defect-surface-island-titanium-nitride.md )
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+ - [ Step Surface Defect on Pt(111)] ( materials/specific/defect-surface-step-platinum.md )
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+ - [ Twisted Bilayer h-BN nanoribbons] ( materials/specific/interface-bilayer-twisted-nanoribbons-boron-nitride.md )
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+ - [ Twisted Bilayer MoS2 commensurate lattices] ( materials/specific/interface-bilayer-twisted-commensurate-lattices-molybdenum-disulfide.md )
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+ - [ Adatom Surface Defects on Graphene] ( materials/specific/defect-surface-adatom-graphene.md )
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+ - [ H-Passivated Silicon Nanowire] ( materials/specific/passivation-edge-nanowire-silicon.md )
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+ - [ H-Passivated Silicon (100) Surface] ( materials/specific/passivation-surface-silicon.md )
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+ - [ Gold Nanoclusters] ( materials/specific/nanocluster-gold.md )
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+ - [ SrTiO3 Slab] ( materials/specific/slab-strontium-titanate.md )
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+ - [ Interface between Graphene and h-BN] ( materials/specific/interface-2d-2d-graphene-boron-nitride.md )
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+ - [ Interface between Copper and SiO2 (Cristobalite)] ( materials/specific/interface-3d-3d-copper-silicon-dioxide.md )
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+ - [ Interface between Graphene and SiO2 (alpha-quartz)] ( materials/specific/interface-2d-3d-graphene-silicon-dioxide.md )
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+ - [ High-k Metal Gate Stack (Si/SiO2/HfO2/TiN)] ( materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md )
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+ - [ Ripple perturbation of a Graphene sheet] ( materials/specific/perturbation-ripples-graphene.md )
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+ - [ Grain Boundary in FCC Metals (Copper)] ( materials/specific/defect-planar-grain-boundary-3d-fcc-metals-copper.md )
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+ - [ Grain Boundary (2D) in h-BN] ( materials/specific/defect-planar-grain-boundary-2d-boron-nitride.md )
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+ - [ Gr/Ni(111) Interface Optimization] ( materials/specific/optimization-interface-film-xy-position-graphene-nickel.md )
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+ - [ Pt Adatoms Island on MoS2] ( materials/specific/defect-point-adatom-island-molybdenum-disulfide-platinum.md )
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