Polyolefins, particularly polyethene and polypropene, have gained an irreplaceable status in our society. More than 100 million tons of these important materials are produced every year and they are used in every household throughout the world. Nevertheless, the production process is inefficient because it is not fully understood at a microscopic level. The project aims at unraveling the secrets of the process by computer-assisted techniques, combining sophisticated quantum mechanical calculations with state-of-the experiments together with artificial intelligence, carried out at partner laboratories in Europe, Canada, and China. Total understanding of the process would create a platform for development of new production processes and for refinement of the current ones, which will be targeted in collaboration with international chemical industry.

2023

2027