Reaktoro
Computing Applications (HPC) LGPL-2.1 (Free)
About
Modeling complex chemically reactive systems governed by chemical equilibrium, kinetics, or a combination. Efficient numerical algorithms like Gibbs energy minimization and on-demand machine learning for simulations.
Key Features
- Equilibrium: Gibbs energy minimization
- Kinetics: reaction rate equations
- Databases: SUPCRT, PHREEQC, ThermoFun
- Applications: geochemistry, CO2 storage
Citation
Leal, A.M.M. Reaktoro: An open-source unified framework for modeling chemically reactive systems (2015). https://reaktoro.org
Frequently Asked Questions
What is Reaktoro?
Reaktoro is a computing applications (hpc) application available in the Paramus App Store. Modeling complex chemically reactive systems governed by chemical equilibrium, kinetics, or a combination. Efficient numerical algorithms like Gibbs energy minimization and on-demand machine learning for simulations.
Is Reaktoro free to use?
Yes. Reaktoro is distributed under the LGPL-2.1 (Free) license and is available at no cost through the Paramus App Store.
How do I install Reaktoro?
Reaktoro 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 Reaktoro for one-click deployment.
What are the key features of Reaktoro?
Key features of Reaktoro include: Equilibrium: Gibbs energy minimization; Kinetics: reaction rate equations; Databases: SUPCRT, PHREEQC, ThermoFun; Applications: geochemistry, CO2 storage.
What type of application is Reaktoro?
Reaktoro 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 Reaktoro run on?
Reaktoro 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 Reaktoro be automated or integrated with AI workflows?
Yes. Reaktoro 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 Reaktoro in publications?
The recommended citation for Reaktoro is: Leal, A.M.M. Reaktoro: An open-source unified framework for modeling chemically reactive systems (2015). https://reaktoro.org