Shell MS - Search Results

1

Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics.

Petsev ND, Leal LG, Shell MS. Petsev ND, et al. Among authors: shell ms. J Chem Phys. 2016 Feb 28;144(8):084115. doi: 10.1063/1.4942499. J Chem Phys. 2016. PMID: 26931689 Free PMC article.

2

The relative entropy is fundamental to multiscale and inverse thermodynamic problems.

Shell MS. Shell MS. J Chem Phys. 2008 Oct 14;129(14):144108. doi: 10.1063/1.2992060. J Chem Phys. 2008. PMID: 19045135

3

Two-dimensional replica exchange approach for peptide-peptide interactions.

Gee J, Shell MS. Gee J, et al. Among authors: shell ms. J Chem Phys. 2011 Feb 14;134(6):064112. doi: 10.1063/1.3551576. J Chem Phys. 2011. PMID: 21322666

4

Coarse-graining errors and numerical optimization using a relative entropy framework.

Chaimovich A, Shell MS. Chaimovich A, et al. Among authors: shell ms. J Chem Phys. 2011 Mar 7;134(9):094112. doi: 10.1063/1.3557038. J Chem Phys. 2011. PMID: 21384955

5

Systematic coarse-graining of potential energy landscapes and dynamics in liquids.

Shell MS. Shell MS. J Chem Phys. 2012 Aug 28;137(8):084503. doi: 10.1063/1.4746391. J Chem Phys. 2012. PMID: 22938246

6

A test of systematic coarse-graining of molecular dynamics simulations: thermodynamic properties.

Fu CC, Kulkarni PM, Shell MS, Leal LG. Fu CC, et al. Among authors: shell ms. J Chem Phys. 2012 Oct 28;137(16):164106. doi: 10.1063/1.4759463. J Chem Phys. 2012. PMID: 23126694

7

Multiscale modeling with smoothed dissipative particle dynamics.

Kulkarni PM, Fu CC, Shell MS, Leal LG. Kulkarni PM, et al. Among authors: shell ms. J Chem Phys. 2013 Jun 21;138(23):234105. doi: 10.1063/1.4810754. J Chem Phys. 2013. PMID: 23802949

8

Dynamic equilibrium explanation for nanobubbles' unusual temperature and saturation dependence.

Petsev ND, Shell MS, Leal LG. Petsev ND, et al. Among authors: shell ms. Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Jul;88(1):010402. doi: 10.1103/PhysRevE.88.010402. Epub 2013 Jul 30. Phys Rev E Stat Nonlin Soft Matter Phys. 2013. PMID: 23944393

9

A test of systematic coarse-graining of molecular dynamics simulations: Transport properties.

Fu CC, Kulkarni PM, Shell MS, Leal LG. Fu CC, et al. Among authors: shell ms. J Chem Phys. 2013 Sep 7;139(9):094107. doi: 10.1063/1.4819472. J Chem Phys. 2013. PMID: 24028102

10

A simple mechanism for emergent chirality in achiral hard particle assembly.

Carmichael SP, Shell MS. Carmichael SP, et al. Among authors: shell ms. J Chem Phys. 2013 Oct 28;139(16):164705. doi: 10.1063/1.4826466. J Chem Phys. 2013. PMID: 24182062

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