In accordance with the priority directions provided for by the “ANAS National Development Program for 2020-2025”, academician A.Guliyev Institute of Chemistry of Additives conducts scientific research in the direction of using mathematical modeling and information technologies in studying chemical-technological processes.
International Collaborative Research, conducted by leading experts at the
Center for Computational Research – University at Buffalo in the United States, uses the power of modern computer software. The theoretical and experimental mechanisms of individual reactions of fine organic synthesis are studied in detail using quantum chemical calculations. Theoretical predictions with theoretical functional density calculations for these reactions are tested experimentally. Comprehensive theoretical and experimental studies are being carried out in terms of simulating these chemical reactions using quantum chemical calculations.
It was noted that in view of the fact that the direction of research is widely relevant in world science, therefore, the Institute attaches great importance to the training of highly qualified personnel in this field. Themes of dissertations of doctoral students and dissertators of the Institute are directly related to the use of mathematical modeling and information technology in the study of chemical and technological processes.
At the same time, the institute is implementing a joint project with the Institute of Petrochemical Processes of ANAS “Computer study of fine organic synthesis methods for obtaining high-quality organic reagents that can be used in the petrochemical industry” with the financial support of the SOCAR Science Foundation. Within the framework of the project, a number of important research results have been achieved, carried out to date, and 2 articles about these scientific results have been published in prestigious foreign journals, and 1 article has been sent for publication.