nano-isaac

Interpret AP-XPS spectra and generate DTCS surface reaction networks.

Updated Jan 27, 2026
One-click install
npx skills add https://github.com/carbonscott/deploy-opencode --skill nano-isaac
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: nano-isaac
Source: https://github.com/carbonscott/deploy-opencode/tree/main/claude/skills/nano-isaac
Command: npx skills add https://github.com/carbonscott/deploy-opencode --skill nano-isaac

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

nano-isaac provides an AI catalysis research assistant for AP-XPS spectroscopy, enabling researchers to interpret XPS binding energies, run surface chemistry simulations, parse VAMAS data, fetch reaction-parameter data, and orchestrate DTCS CRN workflows on metal surfaces such as Ag and Cu.

Core Features & Use Cases

  • Interpret XPS data: binding energy lookups, peak assignments, and environment-aware shifts.
  • DTCS CRN support: generate and simulate surface reaction networks, synthesize XPS spectra from CRNs.
  • Data integration: access local nano-isaac datasets, Edison-literate literature context (cached), and MLIP-based screening when available.
  • Use case: explore a new AP-XPS system, compare simulated spectra to experiments, and refine mechanistic hypotheses.

Quick Start

Launch the nano-isaac environment and run a minimal CRN example to verify the end-to-end workflow.

Frequently Asked Questions about nano-isaac

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I interpret AP-XPS binding energies for catalytic surface reactions?

AP-XPS binding energies are interpreted by looking up peak assignments and calculating environment-aware shifts for metal surfaces such as Ag and Cu. This enables researchers to accurately assign spectral peaks and refine mechanistic hypotheses for catalytic systems.

What is the best way to generate a CRN for surface chemistry simulations?

Generating a CRN for surface chemistry simulations involves using DTCS integration to construct and simulate reaction networks on metal surfaces. This produces reproducible simulations and synthesizes corresponding XPS spectra for comparison against experimental data.

Can I parse VAMAS data for AP-XPS spectroscopy analysis?

VAMAS data parsing is supported to extract and process AP-XPS spectroscopy results. This allows researchers to ingest standardized experimental data formats and directly compare them with DTCS-generated simulated spectra.

Does this approach work for catalysis research on Ag and Cu metal surfaces?

Catalysis research on Ag and Cu metal surfaces is fully supported for AP-XPS-enabled workflows. The system provides binding energy lookups, DTCS CRN generation, and spectrum synthesis specifically tailored to these metal surface environments.

How do I synthesize XPS spectra from a chemical reaction network?

XPS spectra are synthesized from a chemical reaction network by running DTCS simulations on the defined CRN. This generates reproducible spectral data that can be directly compared against experimental AP-XPS results to validate mechanistic hypotheses.