Artificial intelligence (AI) could help develop new materials for...
In order to improve the separation of chemicalssubstances in industrial processes, a team of researchers has identified the best reticular frameworks (eg, metal-organic frameworks, covalent organic frameworks) for use.
Such frames can be considered as specialengineered molecular sponges: These are formed by the self-assembly of molecular building blocks into different configurations. This results in a new family of crystalline porous materials that can be used to solve many technological problems.
We have created an automated platform formaterials detection, which generates the design of various molecular structures. This significantly reduces the time required to determine the optimal materials to use in that particular process. In our case, we used a scaffold discovery platform that strongly competes with some of the most effective materials used for CO2 separation.
Name Zhengpeng Yao, research fellow in the Department of Chemistry and Computer Science in the Faculty of Arts and Sciences at the University of California and lead author of the study
The researchers say the model demonstratesexcellent predictive and optimization capabilities when developing new reticular structures, especially in combination with already known ones. Also, the platform is fully customizable in its application to solve many modern technological problems.
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