Welcome to the Persson Group home page. We study the physics and chemistry of materials using atomistic computational methods and high-performance computing technology.

We focus on materials for energy applications, such as battery electrode materials, electrolytes, photocatalysts, thermoelectrics, etc.


  • 13 August 2018

    Our group’s work as part of the Joint Center for Energy Storage Research (JCESR) is being recognized with the Secretary of Energy Honor Award, the U.S. Dept. of Energy’s highest form of internal employee recognition. Congratulations to current and former group members Nidhi, Xiaohui, Miao, Yongwoo, Anubhav, Miriam, Brandon, Julian, Trevor, Donny, and Kristin for the culmination of work that led to this recognition.

  • 06 August 2018

    LBL’s Scientific Computing Group interviewed Shyam in a Science IT Profiles article highlighting the Materials Project and our group’s recent “synthesizability skyline” work. Read it here.

  • 22 June 2018

    Rachel won the Best Student Paper award at the World Conference on Photovoltaic Energy Conversion for her transparently conducted investigation of Cu-Zn-S alloys as back contacts for CdTe devices.