Design lattice-matched heterostructures using the Zur-McGill ZSL algorithm.
npx skills add https://github.com/Hello-QM/catgo-LRG --skill heterostructure
Please help me install this Agent Skill. Skill: heterostructure Source: https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/structure-heterostructure Command: npx skills add https://github.com/Hello-QM/catgo-LRG --skill heterostructure
Designing functional heterostructures requires identifying lattice-compatible combinations and constructing an interface that minimizes strain. This skill helps users automatically explore substrate-film pairs and generate lattice-matched stacks.
Ask CatGo to design a lattice-matched heterostructure for a given substrate-film pair, review the matches, and generate the interface.
High-intent search queries and answers about installing and using this skill.
To design a lattice-matched heterostructure, you can pair a substrate and film material to automatically discover superlattice matches using the Zur-McGill ZSL algorithm. The workflow then evaluates area and lattice-mismatch metrics to output optimized build parameters for constructing the interface.
The Zur-McGill ZSL algorithm is used for lattice match discovery in materials design, identifying optimal superlattice matches between two materials. It calculates lattice mismatch metrics to help construct strain-minimized substrate-film interfaces and van der Waals stacks.
Yes, you can build van der Waals stacks and lattice-matched bilayers by applying lattice-matching techniques. The process locates optimal superlattice matches across various materials, supporting applications in catalysis, electronics, and energy materials.
The best way to find a substrate with minimal lattice mismatch is to compute superlattice matches using the Zur-McGill ZSL algorithm. This evaluates area and lattice-mismatch metrics between the substrate and film, generating build parameters for a strain-optimized interface.
After finding a lattice-matched superlattice, you construct the interface by specifying surface terminations and thicknesses for the paired materials. The workflow outputs precise build parameters to assemble the optimized heterostructure.
Yes, the lattice-matching workflow supports materials for catalysis, electronics, and energy applications. It applies the Zur-McGill ZSL algorithm to find compatible substrate-film pairs and van der Waals stacks across these specific material domains.
RamanEbrahimiAutomate crystallographic analysis and materials simulation using Pymatgen.
Hello-QMReplace host atoms with dopants in structures for automated geometry optimization workflows.
learningmatter-mitGenerate and run VASP-to-LOBSTER projection workflows for COHP bonding analysis.
519labOptimize LLM alignment with reference-free SimPO preference training.
