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Page 1
Examining the self-assembly of patchy alkane-grafted silica nanoparticles using molecular simulation.
J Chem Phys. 2021 Jan 21;154(3):034903. doi: 10.1063/5.0032658.
J Chem Phys. 2021.
PMID: 33499609
A Transferable, Multi-Resolution Coarse-Grained Model for Amorphous Silica Nanoparticles.
Summers AZ, Iacovella CR, Cane OM, Cummings PT, McCabe C.
Summers AZ, et al.
J Chem Theory Comput. 2019 May 14;15(5):3260-3271. doi: 10.1021/acs.jctc.8b01269. Epub 2019 Apr 18.
J Chem Theory Comput. 2019.
PMID: 30916968
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MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films.
Summers AZ, Gilmer JB, Iacovella CR, Cummings PT, McCabe C.
Summers AZ, et al.
J Chem Theory Comput. 2020 Mar 10;16(3):1779-1793. doi: 10.1021/acs.jctc.9b01183. Epub 2020 Mar 2.
J Chem Theory Comput. 2020.
PMID: 32004433
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Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation.
Summers AZ, Iacovella CR, Cummings PT, McCabe C.
Summers AZ, et al.
Langmuir. 2017 Oct 24;33(42):11270-11280. doi: 10.1021/acs.langmuir.7b02479. Epub 2017 Oct 3.
Langmuir. 2017.
PMID: 28915731
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Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation.
Black JE, Summers AZ, Iacovella CR, Cummings PT, McCabe C.
Black JE, et al. Among authors: summers az.
Nanomaterials (Basel). 2019 Apr 19;9(4):639. doi: 10.3390/nano9040639.
Nanomaterials (Basel). 2019.
PMID: 31010181
Free PMC article.
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Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study.
Summers AZ, Iacovella CR, Billingsley MR, Arnold ST, Cummings PT, McCabe C.
Summers AZ, et al.
Langmuir. 2016 Mar 15;32(10):2348-59. doi: 10.1021/acs.langmuir.5b03862. Epub 2016 Mar 1.
Langmuir. 2016.
PMID: 26885941
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