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Updated: Nov 25, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Alejandro M Boscoboinik1, Sergio J Manzi2, Víctor D Pereyra3
1Department of Chemistry and Biochemistry and Laboratory for Surface Studies, University of Wisconsin-Milwaukee, Milwaukee, Wisconsin 53211, USA.
Researchers developed a computationally inexpensive bond-switching algorithm to model the evolution of two-dimensional (2D) bilayer silicates. This method accurately predicts equilibrium ring size distributions, aiding the study of nanoscale structural transformations.
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