Organizer of “Theory and Simulation in Energy and Fuel Production and Utilization”, Division of Energy and Fuel”, 244th ACS meeting, Aug. 19-22, 2012，Philadelphia, USA.
Organizer of “International Symposium on Nanostructures and Their Applications in Renewable Energy”, Oct.24-27, 2013, Beijing.
Co-organizer of “In Silico Materials Chemistry,” MRS Meeting, Nov.27-Dec.2, 2016，Boston, USA.
Co-organizer of “Computational Approaches in Design of Ceramics for Energy Applications”, Aug 30-Sept.4, 2015, Jeju, Korea.
Associate Editor (2009-2015), Journal of Renewable and Sustainable Energy (JRSE), Sponsored by AIP.
Board Member: National Materials and Devices Network: http://www.chinamaterial.org.cn/page/html/about.php
Board Member: Computational Materials Science Branch of Chinese Materials Research Society： http://www.ccmrs.cn
Editorial Board Member: Materials Science and Nanotechnology
Editorial Board Member: Annals of Materials Science & Engineering
Board Member: China Association for Hydrogen Energy
