Computer Simulations Shed Light on Nanomaterial Structures

Optimized geometry of GeSe monolayer

Optimized geometry of GeSe monolayer. Using a newly developed structural optimization algorithm within Quantum Monte Carlo, the GeSe structure is fully optimized (colored structure) from the initial structure (clear structure). (Image: Janet Knowles, Joseph Insley, Silvio Rizzi, and Victor Mateevitsi, Argonne National Laboratory)

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