Predict your Chemistry by Simulations

Synthalpy offers advanced software solutions to provide any chemist or chemical engineer with the power of quantum molecular simulations to solve everyday problems.


User Interface

Our intuitive user interface allows any chemist or chemical engineer to define compounds, mixtures or reactions by simply drawing the structual formula.

Property Predictions

All important thermodynamic properties are predicted automatically after the definition of all molecules. This includes ideal gas phase properties and real phase mixture properties.

Quantum Molecular Simulations

The software automatically constructs all important molecular conformers, optimizes their structures and performs a complete thermodynamic analysis. All ideal gas properties are thereby accessible.

Equation of State

The predicted properties from quantum molecular simulations are used to determine an equation of state. Thereby all real properties of pure compounds, mixtures and reactions are available.

Use Cases

Chemical Engineering

Predict pure and mixture properties and import them into your simulator. 

Fit any model equation to simulated data. 

Optimize reaction conditions to increase product yields and reduce reaction times.

Research & Development

Reduce the amount of manual lab work by virtual pre-screenings. Sort your set of reactions by the most promising candidates and try them first.

Optimize reaction conditions to increase product yields and reduce reaction times.

Custom Predictions

The combination of our powerful prediction algorithm with neural networks allows the prediction of more advanced properties.

Thereby we may predict the hardening speeds of plastics or the weatherproofness of paints.