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.
Our recent work on evaluating corrosion mechanisms in materials for artificial photosynthesis, a fruitful collaboration among theorists and experimentalists at JCAP, was published in Nature Communications. Read the open-access article here.
Materials Project efforts were recently highlighted by a Nature news feature, Can artificial intelligence create the next wonder material?
We are hosting a two-day, hands-on workshop for the Materials Project user community in Berkeley, CA on August 11-12. More info here.
Our recent review article [pdf], on density functional theory (DFT) as an indispensible tool in the design of new materials, has been featured on Nature Reviews Materials’s home page (update 2015-01-21: also featured by LBL’s daily newsletter).
Our work as part of the Center for Next Generation of Materials by Design, a DOE Energy Frontier Research Center (EFRC), is featured in this video (5min) produced for the Materials Research Society (MRS) Fall Meeting. Find out more about the EFRC here.
The BBC interviewed Kristin about battery applications of magnesium for a podcast episode on that element, part of their Elements series. Listen to the episode here (Kristin’s interview starts at 8:00 and lasts six minutes).