Multiphase Chemical Kinetics & Reaction Mechanisms

Browse this webpage to explore all of our openly available scientific models

Computational Models

Select one of our available kinetic and machine learning models

Our most advanced model for simulating multiphase chemical kinetics

Simulates evaporation and condensation of aerosol particles

Simulates gas uptake and chemical reaction in aerosol particles

Simulates reactive oxygen species production from air pollution in the respiratory tract

Simulates the output of oxidative potential (OP) assays of particulate matter (PM)

Predicts vapor pressure at 298 K using adaptive-depth graph convolutional neural networks

Predicts biological soil crust CO₂ gas exchange using neural networks

2026/08/26 – The next model was added! You can now calculate the evaporation of organic aerosols with:

2026/08/15 – Two more models were added to the site, it's getting busy! You can now find:

2026/08/13 – The next model was added! You can now explore:

2026/07/30 – The webpage is live! The first accessible models are:

The research group led by Dr. Thomas Berkemeier within the Multiphase Chemistry Department (Director Prof. Dr. Ulrich Pöschl) at the Max Planck Institute for Chemistry, Mainz, investigates the chemical kinetics and pathways of multiphase processes in the atmosphere, in technical applications and in the human body (group webpage).