Stephen A. Barr, Ph.D. - Publications

2010 University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
Computational statistical mechanics of complex fluids; electrostatically driven self-assembly phenomena; phase behavior and kinetics of colloidal suspensions and polymeric systems; Monte Carlo algorithms

15 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Kedziora GS, Barr SA, Berry R, Moller JC, Breitzman TD. Bond breaking in stretched molecules: multi-reference methods versus density functional theory Theoretical Chemistry Accounts. 135. DOI: 10.1007/s00214-016-1822-z  1
2015 Welch CM, Camden AN, Barr SA, Leuty GM, Kedziora GS, Berry RJ. Computation of the binding free energy of peptides to graphene in explicit water. The Journal of Chemical Physics. 143: 045104. PMID 26233167 DOI: 10.1063/1.4927344  1
2014 Sheikholeslami S, Pandey RB, Dragneva N, Floriano W, Rubel O, Barr SA, Kuang Z, Berry R, Naik R, Farmer B. Binding of solvated peptide (EPLQLKM) with a graphene sheet via simulated coarse-grained approach. The Journal of Chemical Physics. 140: 204901. PMID 24880319 DOI: 10.1063/1.4876716  1
2013 Camden AN, Barr SA, Berry RJ. Simulations of peptide-graphene interactions in explicit water. The Journal of Physical Chemistry. B. 117: 10691-7. PMID 23964693 DOI: 10.1021/jp403505y  1
2013 Moller JC, Barr SA, Schultz EJ, Breitzman TD, Berry RJ. Simulation of fracture nucleation in cross-linked polymer networks Jom. 65: 147-167. DOI: 10.1007/s11837-012-0511-1  1
2013 Moller JC, Barr SA, Breitzman TD, Berry RJ. Simulation of bond scission and viscoplastic flow in thermoset polymer fracture International Sampe Technical Conference. 832-847.  1
2012 Barr SA, Panagiotopoulos AZ. Conformational transitions of weak polyacids grafted to nanoparticles. The Journal of Chemical Physics. 137: 144704. PMID 23061858 DOI: 10.1063/1.4757284  1
2012 Barr SA, Panagiotopoulos AZ. Grand-canonical Monte Carlo method for Donnan equilibria. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 86: 016703. PMID 23005559 DOI: 10.1103/PhysRevE.86.016703  1
2012 Sinkovits DW, Barr SA, Luijten E. Rejection-free Monte Carlo scheme for anisotropic particles. The Journal of Chemical Physics. 136: 144111. PMID 22502505 DOI: 10.1063/1.3694271  1
2012 Lebard DN, Levine BG, Mertmann P, Barr SA, Jusufi A, Sanders S, Klein ML, Panagiotopoulos AZ. Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units Soft Matter. 8: 2385-2397. DOI: 10.1039/c1sm06787g  1
2011 Barr SA, Panagiotopoulos AZ. Interactions between charged surfaces with ionizable sites. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 8761-6. PMID 21644585 DOI: 10.1021/la201353u  1
2010 Barr SA, Luijten E. Structural properties of materials created through freeze casting Acta Materialia. 58: 709-715. DOI: 10.1016/j.actamat.2009.09.050  1
2006 Barr SA, Luijten E. Effective interactions in mixtures of silica microspheres and polystyrene nanoparticles. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 7152-5. PMID 16893209 DOI: 10.1021/la061291d  1
2005 Du YA, Barr SA, Hazzard KRA, Lenosky TJ, Hennig RG, Wilkins JW. Fast diffusion mechanism of silicon tri-interstitial defects Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.241306  1
2004 Richie DA, Kim J, Barr SA, Hazzard KR, Hennig R, Wilkins JW. Complexity of small silicon self-interstitial defects. Physical Review Letters. 92: 045501. PMID 14995383  1
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