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ab initio molecular dynamics and DFT simulations to elucidate the structural dynamics of the 2D materials. Due to the 2D confinement, the resulting new elemental 2D materials are expected to show
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characterization by electron microscopy, photoelectron spectroscopy, and other related techniques; and closely work with a theoretical team carrying out ab initio molecular dynamics and DFT simulations to elucidate
Searches related to molecular dynamics simulation
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