RMG
Reaction Mechanism Generator
Computing Applications (HPC) MIT (Free)
About
An automatic chemical reaction mechanism generator that constructs kinetic models composed of elementary chemical reaction steps. It uses thermodynamic estimation and rate rules to predict mechanisms for combustion and atmospheric chemistry.
Key Features
- Mechanisms: automatic generation
- Thermodynamics: group additivity, NASA polynomials
- Kinetics: rate rules, Arrhenius parameters
- Applications: combustion, pyrolysis, atmospheric
Skills
MCP skills available for RMG, callable from AI workflows and the Paramus chat:
- Capabilities — Get RMG capabilities and supported features
- Changelog — Get RMG module version history and changes
- Info — Get RMG module information and capabilities
- Kernel Execute — Execute command in RMG shell session
- Kernel List — List active RMG shell sessions
- Kernel Start — Start interactive shell session in RMG Docker container
- Kernel Stop — Stop RMG shell session
- Kinetics — Estimate reaction rate constants using RMG’s kinetics database and estimation methods. Supports Arrhenius parameters, pressure-dependent rates, and reaction family templates.
- Mechanism — Generate detailed chemical reaction mechanisms using RMG (Reaction Mechanism Generator). Given initial species (like styrene, ethylene, propylene), RMG automatically discovers reaction pathways, intermediates, and rate parameters for combustion, pyrolysis, or polymerization processes.
- Methods — Get list of available RMG RPC methods
- Thermo — Estimate thermodynamic properties (enthalpy, entropy, heat capacity) for molecules using RMG’s group additivity methods. Supports SMILES input for organic and organometallic species.
- Version — Get RMG program version from Docker container
Browse the full RMG skill documentation
Citation
Gao, C.W. et al. Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms. Comput. Phys. Commun. 203, 212-225 (2016). DOI:10.1016/j.cpc.2016.02.013
Frequently Asked Questions
What is RMG?
RMG is a computing applications (hpc) application available in the Paramus App Store. An automatic chemical reaction mechanism generator that constructs kinetic models composed of elementary chemical reaction steps. It uses thermodynamic estimation and rate rules to predict mechanisms for combustion and atmospheric chemistry.
Is RMG free to use?
Yes. RMG is distributed under the MIT (Free) license and is available at no cost through the Paramus App Store.
How do I install RMG?
RMG is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select RMG for one-click deployment.
What are the key features of RMG?
Key features of RMG include: Mechanisms: automatic generation; Thermodynamics: group additivity, NASA polynomials; Kinetics: rate rules, Arrhenius parameters; Applications: combustion, pyrolysis, atmospheric.
What type of application is RMG?
RMG belongs to the “Computing Applications (HPC)” category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.
What platform does RMG run on?
RMG runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.
Can RMG be automated or integrated with AI workflows?
Yes. RMG is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.
How should I cite RMG in publications?
The recommended citation for RMG is: Gao, C.W. et al. Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms. Comput. Phys. Commun. 203, 212-225 (2016). DOI:10.1016/j.cpc.2016.02.013