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180 related items for PubMed ID: 33639746

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  • 3. Chemically Specific Systematic Coarse-Grained Polymer Model with Both Consistently Structural and Dynamical Properties.
    Zhang XZ, Shi R, Lu ZY, Qian HJ.
    JACS Au; 2024 Mar 25; 4(3):1018-1030. PubMed ID: 38559727
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  • 4. Directly Modifying the Nonbonded Potential Based on the Standard Iterative Boltzmann Inversion Method for Coarse-Grained Force Fields.
    Xie Z, Chai D, Wang Y, Tan H.
    J Phys Chem B; 2016 Nov 17; 120(45):11834-11844. PubMed ID: 27766876
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  • 7. Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism.
    Li Z, Bian X, Li X, Karniadakis GE.
    J Chem Phys; 2015 Dec 28; 143(24):243128. PubMed ID: 26723613
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  • 8. A test of systematic coarse-graining of molecular dynamics simulations: Transport properties.
    Fu CC, Kulkarni PM, Shell MS, Leal LG.
    J Chem Phys; 2013 Sep 07; 139(9):094107. PubMed ID: 24028102
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  • 9. Slip-Spring Hybrid Particle-Field Molecular Dynamics for Coarse-Graining Branched Polymer Melts: Polystyrene Melts as an Example.
    Wu Z, Müller-Plathe F.
    J Chem Theory Comput; 2022 Jun 14; 18(6):3814-3828. PubMed ID: 35617016
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  • 10. Effective control of the transport coefficients of a coarse-grained liquid and polymer models using the dissipative particle dynamics and Lowe-Andersen equations of motion.
    Qian HJ, Liew CC, Müller-Plathe F.
    Phys Chem Chem Phys; 2009 Mar 28; 11(12):1962-9. PubMed ID: 19280007
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  • 11. Transferable local density-dependent friction in tert-butanol/water mixtures.
    Mathes M, Klippenstein V, van der Vegt NFA.
    J Chem Phys; 2024 May 14; 160(18):. PubMed ID: 38726942
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  • 14. Understanding dynamics in coarse-grained models. III. Roles of rotational motion and translation-rotation coupling in coarse-grained dynamics.
    Jin J, Lee EK, Voth GA.
    J Chem Phys; 2023 Oct 28; 159(16):. PubMed ID: 37870140
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  • 17. Transferability of coarse-grained force fields: the polymer case.
    Carbone P, Varzaneh HA, Chen X, Müller-Plathe F.
    J Chem Phys; 2008 Feb 14; 128(6):064904. PubMed ID: 18282071
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  • 18. Bayesian parametrization of coarse-grain dissipative dynamics models.
    Dequidt A, Solano Canchaya JG.
    J Chem Phys; 2015 Aug 28; 143(8):084122. PubMed ID: 26328833
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  • 19. Transferable coarse-grained model for perfluorosulfonic acid polymer membranes.
    Kuo AT, Okazaki S, Shinoda W.
    J Chem Phys; 2017 Sep 07; 147(9):094904. PubMed ID: 28886657
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  • 20. A coarse-grained model for polyethylene glycol polymer.
    Wang Q, Keffer DJ, Nicholson DM.
    J Chem Phys; 2011 Dec 07; 135(21):214903. PubMed ID: 22149813
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