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355 related items for PubMed ID: 21806095

  • 1. Particle-based multiscale coarse graining with density-dependent potentials: application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine).
    Izvekov S, Chung PW, Rice BM.
    J Chem Phys; 2011 Jul 28; 135(4):044112. PubMed ID: 21806095
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  • 2. The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials.
    Izvekov S, Chung PW, Rice BM.
    J Chem Phys; 2010 Aug 14; 133(6):064109. PubMed ID: 20707563
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  • 3. Multiscale coarse graining of liquid-state systems.
    Izvekov S, Voth GA.
    J Chem Phys; 2005 Oct 01; 123(13):134105. PubMed ID: 16223273
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  • 4. Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDX.
    Izvekov S, Rice BM.
    J Chem Phys; 2021 Aug 14; 155(6):064503. PubMed ID: 34391357
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  • 9. The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials.
    Lu L, Voth GA.
    J Chem Phys; 2011 Jun 14; 134(22):224107. PubMed ID: 21682507
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  • 10. Effective force coarse-graining.
    Wang Y, Noid WG, Liu P, Voth GA.
    Phys Chem Chem Phys; 2009 Mar 28; 11(12):2002-15. PubMed ID: 19280011
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  • 13. The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systems.
    Das A, Lu L, Andersen HC, Voth GA.
    J Chem Phys; 2012 May 21; 136(19):194115. PubMed ID: 22612088
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  • 14. The multiscale coarse-graining method. VIII. Multiresolution hierarchical basis functions and basis function selection in the construction of coarse-grained force fields.
    Das A, Andersen HC.
    J Chem Phys; 2012 May 21; 136(19):194113. PubMed ID: 22612086
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  • 15. High pressure Raman spectroscopy of single crystals of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX).
    Dreger ZA, Gupta YM.
    J Phys Chem B; 2007 Apr 19; 111(15):3893-903. PubMed ID: 17388552
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  • 16. 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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