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You can design and review end-to-end computational chemistry work covering molecules, materials, interfaces, adsorption, electronic structure, and dynamics. It produces minimum runnable calculation files, a README, result analysis for CDD/Bader/DOS/PDOS/COHP/QTAIM, data processing, and manuscript methods sections.

It targets computational chemists, materials scientists, and researchers running geometry optimizations, surface/interface studies, or formal calculation batches who need structured intake, result validation, provenance tracking, and publication-ready delivery or archiving of their projects.

It starts with a progressive stage-1 intake to gather required facts, and only creates one final browser review after those facts are complete. Advanced initialized projects retain stage isolation, returned-result validation, and state recovery throughout the engagement.

No. It supports controlled PowerShell 7 for bounded Windows operations, but this is explicitly optional and never made a workflow dependency. The core calculation design, file generation, and review process function independently of any specific operating system shell.

It delivers the minimum set of runnable calculation input files plus one README per project. For advanced initialized projects, it also supports explicit provenance, source tracking, manuscript and delivery workflows, and final archiving of results.