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Lithium–ion Cell Simulation
Lithium–ion Cell simulation image

An image from a 25-picosecond Qbox simulation of a lithium–ion cell anode–electrolyte interface that involved 1700 atoms. Qbox is a first-principles molecular dynamics code written to efficiently carry out large simulations on massively parallel supercomputers, allowing researchers to study systems with larger numbers of atoms than most other codes of its type.

Code: Qbox
Machine: Vulcan
Processors: 64,000
Run time: one month wall clock time
Visualization: Liam Krauss
Researchers:  John Pask, Vince Lordi, Mitchell Ong, Erik Draeger