API Reference

Complete API documentation for all Quantum ARISE research packages.

pvsim-pv Web API

The PVSim local server exposes the following REST API endpoints:

POST /api/simulate — Execute a 1D/2D Sesame simulation

GET /api/results/<id> — Fetch simulation results

GET /api/simulation/<id>/progress-stream — SSE live progress stream

POST /api/optimize/create — Create Bayesian optimization job

POST /api/optimize/<id>/run — Trigger optimization execution

POST /api/optimize/<id>/sensitivity — Calculate Sobol indices

qe-to-tcad Bridge Commands

The CLI tools exposed by the bridge:

qe-bridge <material> [--epsilon ask|empiric|compute|mp]

— Runs Quantum ESPRESSO workflow to extract TCAD-ready properties

qe-plot <material>

— Plots dielectric dispersion functions

qe-tcad <material> [diode|transistor]

— Feeds properties into 1D DEVSIM devices to validate behavior

materials-cli Funnel Pipeline

Commands to run and manage the discovery funnel stages:

materials-cli run [--only STAGE] [--materials NAMES]

— Start processing the materials-cli.yaml funnel

materials-cli status

— Check pipeline status counts and execution failures

materials-cli results --export db.json

— Export OPTIMADE-compliant materials records

aiida-dftbplus ORM & API

Primary AiiDA classes and parameters mapping:

DataFactory("dftbplus")

— Maps nested HSD configuration inputs into a database-queryable structure

CalculationFactory("dftbplus")

— Handles execution processes and schedules jobs to computational backends

Full Documentation

Detailed API reference documentation is available in the individual package guides section. Each package includes complete parameter documentation and usage examples.