Single atomic catalysts(SACs),especially metal-nitrogen doped carbon(M-NC)catalysts,have been extensively explored for the electrochemical oxygen reduction reaction(ORR),owing to their high activity and atomic utiliza...Single atomic catalysts(SACs),especially metal-nitrogen doped carbon(M-NC)catalysts,have been extensively explored for the electrochemical oxygen reduction reaction(ORR),owing to their high activity and atomic utilization efficiency.However,there is still a lack of systematic screening and optimization of local structures surrounding active centers of SACs for ORR as the local coordination has an essential impact on their electronic structures and catalytic performance.Herein,we systematic study the ORR catalytic performance of M-NC SACs with different central metals and environmental atoms in the first and second coordination sphere by using density functional theory(DFT)calculation and machine learning(ML).The geometric and electronic informed overpotential model(GEIOM)based on random forest algorithm showed the highest accuracy,and its R^(2) and root mean square errors(RMSE)were 0.96 and 0.21,respectively.30 potential high-performance catalysts were screened out by GEIOM,and the RMSE of the predicted result was only 0.12 V.This work not only helps us fast screen high-performance catalysts,but also provides a low-cost way to improve the accuracy of ML models.展开更多
This paper focuses on the problems,opportunities,and challenges faced by software engineering education in the new era.We have studied the core ideas of the new model and reform,the specific measures implemented,and t...This paper focuses on the problems,opportunities,and challenges faced by software engineering education in the new era.We have studied the core ideas of the new model and reform,the specific measures implemented,and the challenges and solutions faced.The new model and reform must focus on cultivating practical abilities,introducing interdisciplinary knowledge,and strengthening innovation awareness and entrepreneurial spirit.The process of reform and innovation is carried out from the aspects of teaching methods,teaching means,and course performance evaluation in the teaching practice of software engineering courses.We adopt a method of“question guiding,simple and easy to understand,flexible and diverse,and emphasizing practical results”,optimizing the curriculum design,providing diverse learning opportunities,and establishing a platform for the industry-university-research cooperation.Our teaching philosophy is to adhere to the viewpoint of innovative teaching ideas,optimizing teaching methods and teaching means,and comprehensively improving the teaching quality and level of software engineering education.展开更多
基金financially supported by the National Key Research and Development Program of China (2018YFA0702002)the Beijing Natural Science Foundation (Z210016)the National Natural Science Foundation of China (21935001)。
文摘Single atomic catalysts(SACs),especially metal-nitrogen doped carbon(M-NC)catalysts,have been extensively explored for the electrochemical oxygen reduction reaction(ORR),owing to their high activity and atomic utilization efficiency.However,there is still a lack of systematic screening and optimization of local structures surrounding active centers of SACs for ORR as the local coordination has an essential impact on their electronic structures and catalytic performance.Herein,we systematic study the ORR catalytic performance of M-NC SACs with different central metals and environmental atoms in the first and second coordination sphere by using density functional theory(DFT)calculation and machine learning(ML).The geometric and electronic informed overpotential model(GEIOM)based on random forest algorithm showed the highest accuracy,and its R^(2) and root mean square errors(RMSE)were 0.96 and 0.21,respectively.30 potential high-performance catalysts were screened out by GEIOM,and the RMSE of the predicted result was only 0.12 V.This work not only helps us fast screen high-performance catalysts,but also provides a low-cost way to improve the accuracy of ML models.
基金supported in part by the postgraduate demonstration course of Guangdong Province Department of Education Programmed Trading(No.2023SFKC_022)the Computer Architecture First Class Course Project,South China Normal University-Baidu Pineapple Talent Training Practice Basethe 2023 Project of Computer Education Research Association of Chinese Universities(No.CERACU2023R02)。
文摘This paper focuses on the problems,opportunities,and challenges faced by software engineering education in the new era.We have studied the core ideas of the new model and reform,the specific measures implemented,and the challenges and solutions faced.The new model and reform must focus on cultivating practical abilities,introducing interdisciplinary knowledge,and strengthening innovation awareness and entrepreneurial spirit.The process of reform and innovation is carried out from the aspects of teaching methods,teaching means,and course performance evaluation in the teaching practice of software engineering courses.We adopt a method of“question guiding,simple and easy to understand,flexible and diverse,and emphasizing practical results”,optimizing the curriculum design,providing diverse learning opportunities,and establishing a platform for the industry-university-research cooperation.Our teaching philosophy is to adhere to the viewpoint of innovative teaching ideas,optimizing teaching methods and teaching means,and comprehensively improving the teaching quality and level of software engineering education.
