This article discusses the integration of computational chemistry and artificial intelligence (AI), their role in science and technology, as well as the possibilities of their application in the fields of scientific research and education. An individual analysis of branches of related fields of computer chemistry and AI is carried out. Computer technologies are considered as an important tool in modern science and the educational process, as they provide new opportunities for researchers, students and teachers, and contribute to the development of professional and scientific tasks. Also, the information space and computer programs allow you to quickly find and process the necessary data, as well as carry out individual work. The interconnection of AI and computational chemistry is the basis of transformative solutions in scientific research and industrial innovation. Combining these areas makes it possible to model molecules and chemical processes, develop new drugs and materials, ensure environmental sustainability, and deeply interpret complex chemical, biological, and ecological systems. Therefore, the potential of computational chemistry and AI remains an important resource for scientific research and technological progress. In conclusion, the article notes that the combination of these two industries plays a major role in determining innovative breakthroughs and new solutions.
Kozhabekova et al. (Tue,) studied this question.