Doxastakis M - Search Results

1

Multiscale Modeling of Vinyl-Addition Polynorbornenes: The Effect of Stereochemistry.

Shahidi N, Laub JA, Vogiatzis KD, Doxastakis M. Shahidi N, et al. Among authors: doxastakis m. Polymers (Basel). 2024 Aug 7;16(16):2243. doi: 10.3390/polym16162243. Polymers (Basel). 2024. PMID: 39204463 Free PMC article.

2

Coarse-graining of polyisoprene melts using inverse Monte Carlo and local density potentials.

Shahidi N, Chazirakis A, Harmandaris V, Doxastakis M. Shahidi N, et al. Among authors: doxastakis m. J Chem Phys. 2020 Mar 31;152(12):124902. doi: 10.1063/1.5143245. J Chem Phys. 2020. PMID: 32241142

3

Interfacial Dynamics in Supported Ultrathin Polymer Films-From the Solid to the Free Interface.

Mapesa EU, Shahidi N, Kremer F, Doxastakis M, Sangoro J. Mapesa EU, et al. Among authors: doxastakis m. J Phys Chem Lett. 2021 Jan 14;12(1):117-125. doi: 10.1021/acs.jpclett.0c03211. Epub 2020 Dec 14. J Phys Chem Lett. 2021. PMID: 33307705

4

Multiscale modeling of polyisoprene on graphite.

Pandey YN, Brayton A, Burkhart C, Papakonstantopoulos GJ, Doxastakis M. Pandey YN, et al. Among authors: doxastakis m. J Chem Phys. 2014 Feb 7;140(5):054908. doi: 10.1063/1.4863918. J Chem Phys. 2014. PMID: 24511980

5

Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach.

Li W, Burkhart C, Polińska P, Harmandaris V, Doxastakis M. Li W, et al. Among authors: doxastakis m. J Chem Phys. 2020 Jul 28;153(4):041101. doi: 10.1063/5.0012320. J Chem Phys. 2020. PMID: 32752654

6

Coupling between Polymer Conformations and Dynamics Near Amorphous Silica Surfaces: A Direct Insight from Atomistic Simulations.

Bačová P, Li W, Behbahani AF, Burkhart C, Polińska P, Doxastakis M, Harmandaris V. Bačová P, et al. Among authors: doxastakis m. Nanomaterials (Basel). 2021 Aug 16;11(8):2075. doi: 10.3390/nano11082075. Nanomaterials (Basel). 2021. PMID: 34443909 Free PMC article.

7

Accelerated Diffusion Following Deprotection in Chemically Amplified Resists.

Bottoms CM, Stein GE, Doxastakis M. Bottoms CM, et al. Among authors: doxastakis m. J Phys Chem B. 2022 Sep 1;126(34):6562-6574. doi: 10.1021/acs.jpcb.2c03775. Epub 2022 Aug 19. J Phys Chem B. 2022. PMID: 35984912

8

The effect of chemical constitution on polyisoprene dynamics.

Ghanta R, Burkhart C, Polińska P, Harmandaris V, Doxastakis M. Ghanta R, et al. Among authors: doxastakis m. J Chem Phys. 2023 Jul 28;159(4):044902. doi: 10.1063/5.0155612. J Chem Phys. 2023. PMID: 37486059

9

Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models.

Christofi E, Chazirakis A, Chrysostomou C, Nicolaou MA, Li W, Doxastakis M, Harmandaris VA. Christofi E, et al. Among authors: doxastakis m. J Chem Phys. 2022 Nov 14;157(18):184903. doi: 10.1063/5.0110322. J Chem Phys. 2022. PMID: 36379782

10

Impact of surface hydrophilicity on the ordering and transport properties of bicontinuous microemulsions.

Heroux L, Ojedeji D, Barth B, Imel A, Doxastakis M, Zawodzinski T, Dadmun M. Heroux L, et al. Among authors: doxastakis m. Soft Matter. 2024 Dec 4;20(47):9329-9342. doi: 10.1039/d4sm00728j. Soft Matter. 2024. PMID: 39314181

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