Automatic generation of Chemical Models

01 September 2018 → 31 July 2022
European funding: framework programme
Research disciplines
  • Natural sciences
    • Cheminformatics
chemical models
Other information
Project description

Chemical reactions that produce new compounds are vital to almost all areas of chemical and materials research, development and production. The design of the chemical reactors in which the reactions take place must suit the intended goal of the reaction. However, many processes are complex reaction networks rather than a couple of reactants and a product, making reactor design challenging. With the support of the Marie Skłodowska-Curie Actions programme, the AutoCheMo project will create and coordinate a training network to develop new theoretical models and implement them in user-friendly simulation software. The aim is to enable automatic derivation of complex chemical models from molecular simulations to support the design of industrial chemical reactors.

Role of Ghent University
The role of the UGent partner in AutoCheMo is mainly the realization of objective 2. Our expertise will also be used to support the other objectives, through secondments of the ESRs and shorter exchanges.
Funded by the European Union. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or the European Research Executive Agency (REA). Neither the European Union nor the authority can be held responsible for them.