Computational Chemistry


Computational chemistry models the behavior of chemicals in materials, products, and processes. One of the aims is to speed up the discovery of new products. As a result, computational chemistry is right at the heart of chemical research and development.

CULGI provides a computational chemistry modeling software package which can be combined with a service. We do this to help companies develop higher quality products in a more cost-efficient process. By making the software highly customizable it allows customers to design, discover, and develop new and innovative products. In addition, it covers all aspects of multiscale modeling in chemistry, ranging from quantum chemistry to molecular and coarse-grained modeling. Besides that, it also contains chemical informatics and thermodynamics. 

CULGI software is currently helping companies and universities globally in different industrial sectors, including oil and gas, chemicals and pharmaceuticals. We have done over fifty industrial projects an a range of European projects. 

CULGI has three main benefits:

  • It is highly customizable
  • Services can be included besides software
  • Software can be integrated with other software packages


Quantum Model

Molecular Model

Coarse-Grained Model

Chemical DATA

” CULGI not only predicted the final particle morphology and the dynamics of the internal processes but also provided guidance for the optimal parameters for the process”

Davic England

Researcher, Sanofi Aventis

Biomolecular model

Coarse-grained models of Kinase protein family

Chemical Informatics

Database analysis

“What also adds to the specialty of CULGI is the very competent scientific support from the friendly team out there.”

Vandana Kurkal-Siebert

Researcher, BASF SE

Zeolite model

Polymer packing

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