recommend_forcefield
Recommend a suitable force field for a molecule by name, with literature guidance and structured fallback for missing parameters via Semantic Scholar.
Instructions
Given a molecule name (common name, formula, or IUPAC), recommend the most appropriate built-in force field and provide literature guidance.
For molecules NOT in the built-in library, returns structured guidance on how to find parameters from literature using Semantic Scholar.
Args: molecule: e.g. "CO2", "methane", "PH3", "SO2", "water"
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| molecule | Yes |