Kristin Persson holding molecule model
Photo: Elena Zhukova

Research Expertise and Interest

Lithium-ion Batteries, multivalent batteries, organic electrolytes, polar materials, datamining of materials properties for energy applications

Research Description

The Persson Group studies the physics and chemistry of materials using atomistic computational methods and high-performance computing technology, particularly for clean energy production and storage applications.

Professor Persson directs the Materials Project which is a multi-institution, multi-national effort to compute the properties of all inorganic materials and provide the data and associated analysis algorithms to researchers free of charge. The ultimate goal of the initiative is to drastically reduce the time needed to invent new materials by focusing costly and time-consuming experiments on compounds that show the most promise computationally. Within the Persson group, we use our expertise in materials informatics and the high-throughput infrastructure of the Materials Project to design novel materials for energy applications and to guide synthesis and characterization through data-driven methodologies.

Examples of previous work includes data-driven reaction networks of interfacial reactions, rational design of novel electrolytes, tailoring circularity of plastics,  discovery of novel cathodes, magnetocalorics, photocatalysts and piezoelectrics.

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