Concept of the study (IMAGE) Japan Science and Technology Agency Caption Graphical concept figure showing the combined approach of first-principle calculation and microkinetics. Catalytic activities such as conversion and selectivity are predicted. The catalytic reaction network is also obtained thus detailed analysis on the catalyst reaction is possible. Credit Atsushi Ishikawa Usage Restrictions None License Licensed content Disclaimer: AAAS and EurekAlert! are not responsible for the accuracy of news releases posted to EurekAlert! by contributing institutions or for the use of any information through the EurekAlert system.