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20102021
most citedStructure identification methods for atomistic simulations of crystalline materials

1.5k citations · 3.3k across the 15 of their papers we have counts for

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cond-mat.mtrl-sci2010★ 385 cited

A scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys

Babak Sadigh, Paul Erhart, Alexander Stukowski +3

We present an extension of the semi-grandcanonical (SGC) ensemble that we refer to as the variance-constrained semi-grandcanonical (VC-SGC) ensemble. It allows for transmutation Mo…