method-qmc - Select QMC methods and software routes
Selects SSE, CPMC/AFQMC, or DMC routes and provides method-level setup guidance for supported quantum Monte Carlo targets.
Tags
Updated: 2026-10-06Capabilities
Typical Inputs
Typical Outputs
What this skill does
- Select QMC method routes
- Route methods to software
- Set method-level parameters
- Assess sign-problem constraints
- Hand off to tool skills
Inputs
- Target model and particle type
- Temperature or ground-state target
- Interaction and basis details
- Required observables
- Available QMC software
- Quantum ESPRESSO orbitals
Outputs
- Selected QMC method route
- Selected software route
- Method-level setup guidance
- Tool-skill handoff
Requirements
- Julia for the SSE route
- MATLAB for CPMC-Lab
- Quantum ESPRESSO orbitals for the DMC route
- QMCPACK for the DMC route