Dequidt A - Search Results

1

How Does the Surface Tension Depend on the Surface Area with Coarse-Grained Models?

Goujon F, Dequidt A, Ghoufi A, Malfreyt P. Goujon F, et al. Among authors: dequidt a. J Chem Theory Comput. 2018 May 8;14(5):2644-2651. doi: 10.1021/acs.jctc.8b00158. Epub 2018 Apr 13. J Chem Theory Comput. 2018. PMID: 29624386 Free article.

2

Bayesian parametrization of coarse-grain dissipative dynamics models.

Dequidt A, Solano Canchaya JG. Dequidt A, et al. J Chem Phys. 2015 Aug 28;143(8):084122. doi: 10.1063/1.4929557. J Chem Phys. 2015. PMID: 26328833

3

Development of DPD coarse-grained models: From bulk to interfacial properties.

Solano Canchaya JG, Dequidt A, Goujon F, Malfreyt P. Solano Canchaya JG, et al. Among authors: dequidt a. J Chem Phys. 2016 Aug 7;145(5):054107. doi: 10.1063/1.4960114. J Chem Phys. 2016. PMID: 27497539

4

Development of Coarse-Grained Models for Polymers by Trajectory Matching.

Kempfer K, Devémy J, Dequidt A, Couty M, Malfreyt P. Kempfer K, et al. Among authors: dequidt a. ACS Omega. 2019 Mar 28;4(3):5955-5967. doi: 10.1021/acsomega.9b00144. eCollection 2019 Mar 31. ACS Omega. 2019. PMID: 31459746 Free PMC article.

5

Multi-scale modeling of the polymer-filler interaction.

Kempfer K , Devémy J , Dequidt A , Couty M , Malfreyt P . Kempfer K , et al. Among authors: dequidt a. Soft Matter. 2020 Feb 12;16(6):1538-1547. doi: 10.1039/c9sm01959f. Soft Matter. 2020. PMID: 31939976

6

Backbone oriented anisotropic coarse grains for efficient simulations of polymers.

Goujon F, Martzel N, Dequidt A, Latour B, Garruchet S, Devémy J, Blaak R, Munch É, Malfreyt P. Goujon F, et al. Among authors: dequidt a. J Chem Phys. 2020 Dec 7;153(21):214901. doi: 10.1063/5.0019945. J Chem Phys. 2020. PMID: 33291912

7

Heterogeneity Effects in Highly Cross-Linked Polymer Networks.

Munoz G, Dequidt A, Martzel N, Blaak R, Goujon F, Devémy J, Garruchet S, Latour B, Munch E, Malfreyt P. Munoz G, et al. Among authors: dequidt a. Polymers (Basel). 2021 Feb 28;13(5):757. doi: 10.3390/polym13050757. Polymers (Basel). 2021. PMID: 33671017 Free PMC article.

8

Assessing the derivation of time parameters from branched polymer coarse-grain model.

Clavier G, Blaak R, Dequidt A, Goujon F, Devémy J, Latour B, Garruchet S, Martzel N, Munch É, Malfreyt P. Clavier G, et al. Among authors: dequidt a. J Chem Phys. 2021 Mar 28;154(12):124901. doi: 10.1063/5.0039843. J Chem Phys. 2021. PMID: 33810686

9

Understanding and Characterizing the Drug Sorption to PVC and PE Materials.

Sahnoune M, Tokhadzé N, Devémy J, Dequidt A, Goujon F, Chennell P, Sautou V, Malfreyt P. Sahnoune M, et al. Among authors: dequidt a. ACS Appl Mater Interfaces. 2021 Apr 28;13(16):18594-18603. doi: 10.1021/acsami.1c03284. Epub 2021 Apr 16. ACS Appl Mater Interfaces. 2021. PMID: 33861563

10

Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulations.

Nagaraj H, Clavier G, Latour B, Dequidt A, Devémy J, Garruchet S, Goujon F, Martzel N, Blaak R, Munch É, Malfreyt P. Nagaraj H, et al. Among authors: dequidt a. J Chem Phys. 2021 Jun 21;154(23):234902. doi: 10.1063/5.0050562. J Chem Phys. 2021. PMID: 34241267

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