Investigating a Combined Stochastic Nucleation and Molecular Dynamics-Based Equilibration Approach for Constructing Large-Scale Polycrystalline Films

Document type:: Zeitschriftenaufsatz
Author(s):: Schellhammer, K. Sebastian; Cuniberti, Gianaurelio; Ortmann, Frank
Title:: Investigating a Combined Stochastic Nucleation and Molecular Dynamics-Based Equilibration Approach for Constructing Large-Scale Polycrystalline Films
Journal title:: Journal of Chemical Theory and Computation
Year:: 2021
Journal volume:: 17
Journal issue:: 2
Pages contribution:: 1266-1275
Fulltext / DOI:: doi:10.1021/acs.jctc.0c01196
Publisher:: American Chemical Society (ACS)
E-ISSN:: 1549-96181549-9626
Date of publication:: 12.01.2021
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