Argonne Chemist, Lei Cheng uses computational methods to study catalytic reactions and develop materials for energy storage applications. She uses a first-principles understanding of key phenomena to advance basic and applied science in energy storage and catalysis.

Cheng was central to conceiving the strategy, creating the design, and driving the implementation of the Electrolyte Genome, the first extensive database of simulated organic molecules introduced by JCESR in 2013. She applies her computational electrochemistry expertise to advance energy storage research and in the catalytic production of fuel and of high value chemicals.