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wannier-compass

Wannier-Compass is an AI-driven DFT-to-Wannier workflow (Automatic wannier) for automated orbital basis and window selection, Hamiltonian construction, validation and refinement. VASP → Wannier90 · MCP / Skill / CLI.

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GITHUB · launched Oct 14, 2026 · 9 upvotes (top 98%)

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Could you build this?

No The product automates DFT-to-Wannier workflows for VASP and Wannier90, which requires computational materials science expertise to choose orbital bases, energy windows, and validate Hamiltonians. Vibe coding can't supply that domain judgment or the validated methodology.

What it would actually take: Build an orchestration layer that drives VASP and Wannier90 with automated input generation, convergence checks, and window selection, exposed via MCP or CLI. The hard part is the physics: choosing projections, disentanglement windows, and validating the resulting tight-binding Hamiltonian against band structures. This needs a condensed-matter or DFT researcher and access to HPC compute for the calculations.

Competitors

Other products that read as similar to this one : 3 launches clear the similarity bar.

Attention rank: #4 of 4 (itself plus its competitors, highest first, normalized so YC and Product Hunt are compared fairly).

Launched 25 days after the earliest competitor.

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