1. Science research: through the organizing major research project and produce major research result to promote the coordinated development of basic and applied research; establish the mechanism of knowledge innovation, so that the overall level of scientific research is in the domestic leading position.

2. Talents cultivation: through scientific research to cultivate high-quality first-class academic leaders and young and middle-aged academic backbone; Promotes the transformation of the latest research results through the course of development and absorption of graduate students participating in research group, cultivate master, doctor of senior specialized talents; Provide short-term training to the society; make the center become a training base of the same specialized field of study and the talent pool.

3. Academic exchange and information construction: through participation in the formulation of national research and development program, organiziton the national or international academic conferences, receiving visiting scholars at home and abroad, establishment of library and information network, the coordination of the research in the field of national academic activities to play the role of foreign academic exchange window and become the subject of the national academic exchange and data information base.
 
4. Advisory services: through active undertaking the study of application department commission, absorbing practical department staff in group, and sending a part-time or full-time researchers as sector advisory and other measures to carry out advisory services for all levels of government and the community, and improve the comprehensive ability to solve practical problems, and become the ideological and consulting service base.
 
5. In the aspect of deepening the reform of scientific research system, the key point is innovation of system construction. Through the reform of establishing appointment system and internal distribution system to format operation mechanism of open, personnel flow, inside and outside the joint, competition and innovation, and "Integration of production, study and research", exploration and innovation, to play the role of demonstration and radiation in the reform of the scientific research system.
 
In 2005, Peking university had 13 national key research centers, ranking first in China