There have been remarkable advances in computational materials science during the last decades. To learn most recent developments and trend in this area, the Computational Materials Science Branch of the Chinese Materials Research Society has been organizing the annual International Workshop on Multi-scale Modeling and Simulation of Materials. Past workshops have been successfully held in Fudan University (2008), Tsinghua University (2009), Shenyang Institute of Metal Research of Chinese Academy of Sciences (2010), Shanghai Institute of Ceramics of Chinese Academy of Sciences (2011), University of Science and Technology Beijing (2012), Fudan University (2013). This year, it will be at the Institute of Solid State Physics, Chinese Academy of Sciences on July 6-10, 2014.