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Title:

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
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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