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Where Chemistry Meets Artificial Intelligence Professor Joung Joonyoung, Department of Applied Chemistry
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Opening a New Research Paradigm with the Convergence of Chemistry and AI Professor Joung Joonyoung of the Department of Applied Chemistry, Nano & Materials Major at Kookmin University develops artificial intelligence models that predict material properties and chemical reaction mechanisms by integrating chemistry with AI. The Spectroscopy and AI Lab seeks to transform conventional chemical research workflows, focusing on deepening fundamental understanding of chemical reactions themselves.
FlowER: An AI Model for Chemical Reaction Prediction Published in Nature Professor Joung gained international attention with the publication of FlowER, an artificial intelligence model for predicting chemical reaction mechanisms, in Nature, one of the world’s most prestigious scientific journals. Many existing AI models have struggled to earn the trust of chemists because they fail to respect fundamental chemical principles such as the law of conservation of mass. FlowER overcomes this limitation at a structural level. FlowER is designed to strictly follow the law of conservation of mass, accurately predicting where electrons move during chemical reactions. This distinguishes the model in that it directly reflects the way chemists actually think and communicate. Professor Joung emphasizes that the model’s greatest strength lies in the fact that it was developed by chemists who understand what truly matters in chemistry. The publication in Nature also carries personal significance: Professor Joung's mother was also a scientist who published in Nature 31 years ago, making this a meaningful moment for the family as a generational research achievement.
Practical Applications Starting in the Pharmaceutical Industry The FlowER model was developed with support from a consortium of approximately 20 major U.S. pharmaceutical companies and holds significant potential for application in drug discovery. By predicting impurities that may co-form during the synthesis of desired drug structures via chemical reactions, it can help avoid highly toxic substances or redesign reaction pathways. This technology has the potential to simultaneously enhance safety and efficiency in the pharmaceutical industry.
A Model Understanding Electron Movement, Predicting New Reactions The essence of chemical reactions lies in the movement of electrons. FlowER is a model that predicts this electron movement. In the future, it is expected to predict even previously unknown new chemical reactions by understanding how electrons flow in a given environment. This could serve as an important stepping stone to broaden the horizons of chemical research.
Research Bridging Academia and Industry Professor Joung's research holds significant academic value in demonstrating that AI can be a powerful tool even in fundamental sciences such as chemistry. It also holds practical value for industry by enabling rational process selection and material development through the advance prediction of various byproducts that can occur during chemical reactions.
Future Challenges and Research Vision Professor Joung is now pursuing new research applying AI to separation processes that isolate only desired products after chemical reactions. His long-term goal is to build AI models essential across all areas of chemistry by gradually expanding such research. Kookmin University hosts researchers across diverse fields including organic chemistry, materials chemistry, and nanochemistry, conducting research spanning industries like semiconductors, batteries, solar cells, and new drugs. Professor Joung takes pride in the fact that the Spectroscopy and AI Lab is growing into one of the nation's leading chemical-AI convergence research groups.
Advice to Future Chemists Professor Joung encourages students not to focus on predicting which fields will be popular in the future, but instead to immerse themselves in what they genuinely find interesting and enjoyable now. He believes that starting with something you enjoy ultimately builds your skills, and the depth of your research naturally increases in the process. “I want to use AI to help chemists solve important problems they are eager to tackle right now.” This single statement from Professor Joung clearly reflects his research philosophy: pursuing both academic advancement and social value through chemistry and artificial intelligence.
Professor Joung Joonyoung's Research Lab Introduction Page Kookmin University Department of Applied Chemistry Homepage
The Convergence of Chemistry and Artificial Intelligence, Professor Joung Joonyoung, Department of Applied Chemistry Spectroscopy and AI Lab The laboratory focuses on discovering more effective chemical processes through the integration of chemistry and artificial intelligence. Research areas include AI models that predict material properties, models that design material characteristics, and models that predict chemical reaction mechanisms. This video covers the following topics: |
