Publications

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Shea J-E, Peter EKarl.  2014.  A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.
Shelton E, Serwane F, CampÀs O.  2017.  Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data. Journal of microscopy. 269:259–268.
Shen K, Sherck N, Nguyen M, Yoo B, Köhler S, Speros J, Delaney KT, Fredrickson GH, M Shell S.  2020.  Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information. The Journal of Chemical Physics. 153:154116.
Sherck N, Webber T, Brown DRobinson, Keller T, Barry M, DeStefano A, Jiao S, Segalman RA, Fredrickson GH, M Shell S et al..  2020.  End-to-End Distance Probability Distributions of Dilute Poly (ethylene oxide) in Aqueous Solution. Journal of the American Chemical Society.
Shi W, Hamilton AL, Delaney K, Fredrickson GH, Kramer EJ, Ntaras C, Avgeropoulos A, Lynd NA.  2015.  Creating extremely asymmetric lamellar structures via fluctuation-assisted unbinding of miktoarm star block copolymer alloys. Journal of the American Chemical Society.
Shoemaker DP, Llobet A, Tachibana M, Seshadri R.  2011.  Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.
Sidhu IS, Frischknecht AL, Atzberger PJ.  2018.  Electrostatics of Particle Confinement within Nanochannels: Role of.
Siebenhuhner F, Weiss SA, Coppola R, Weinberger DR, Bassett DS.  2013.  Intra-and Inter-Frequency Brain Network Structure in Health and Schizophrenia. PLoS ONE. 8(8)
Sigurdsson J.K., Brown F.L.H., Atzberger P.J..  2013.  Hybrid Continuum-Particle Method for Fluctuating Lipid Bilayer Membranes with Diffusing Protein Inclusions. J. of Comp. Phys.. 252:65.
Singh N, Upham DC, Liu R-F, Burk JJames, Economou NJohn, Buratto SK, Metiu H, McFarland EW.  2014.  Investigation of the active sites of rhodium sulfide for hydrogen evolution/oxidation using carbon monoxide as a probe. Langmuir.
Singh A.K, Janotti A., Scheffler M., Van de Walle C.G.  2008.  Sources of Electrical Conductivity in SnO2. Phys. Rev. Lett.. 101:55502.
Siouri FM, Boldissar S, Berenbeim J, De Vries MS.  2017.  Excited State Dynamics of 6-Thioguanine. The Journal of Physical Chemistry A.
Slagle K, You Y-Z, Xu C.  2014.  Exotic Quantum Phase Transitions of (2+1)d Dirac fermions. arXiv:1409.7401 [cond-mat.str-el].
Slagle K, You Y-Z, Xu C.  2015.  Exotic quantum phase transitions of strongly interacting topological insulators. Physical Review B. 91:115121.
Slagle K, Bi Z, You Y-Z, Xu C.  2017.  Out-of-time-order correlation in marginal many-body localized systems. Physical Review B. 95:165136.
Smith D.J, Leal L.G, Mitragotri S., Shell M.S.  2018.  Nanoparticle transport across model cellular membranes: when do solubility-diffusion models break down? Journal of Physics D: Applied Physics. 51(29):1-15.
Smith A., Mizoguchi H., Delaney KT, Spaldin N.A, Sleight A., Subramanian M.A.  2009.  Mn3+ in Trigonal Bipyramidal Coordination: a New Blue Chromophore. J. Am. Chem. Soc.. 131:17084-17086.
Song X-Y, Jian C-M, Balents L.  2017.  Strongly correlated metal built from sachdev-ye-kitaev models. Physical review letters. 119:216601.
Soto P., Baumketner A., Shea J.E..  2006.  Aggregation of polyalanine in a hydrophobic environment. J Chem Phys.. 124(13):134904.
Soto-Verdugo V, Metiu H, Gwinn E.  2010.  The properties of small Ag clusters bound to DNA bases. J. Chem. Phys.. 132:195102.
Souza MLima, DeMartino AW, Ford PC.  2017.  Biological Thiols and Carbon Disulfide: The Formation and Decay of Trithiocarbonates under Physiologically Relevant Conditions. ACS Omega. 2:6535–6543.
Speiser DI, Lampe RI, Lovdahl VR, Carrillo-Zazueta B, Rivera AS, Oakley TH.  2013.  Evasion of Predators Contributes to the Maintenance of Male Eyes in Sexually Dimorphic Euphilomedes ostracods (Crustacea). Integrative and Comparative Biology. (in press)
Speiser DI, M Pankey S, Zaharoff AK, Battelle BA, Bracken-Grissom HD, Breinholt JW, Bybee SM, Cronin TW, Garm A, Lindgren AR et al..  2014.  Using phylogenetically-informed annotation (PIA) to search for light-interacting genes in transcriptomes from non-model organisms. BMC bioinformatics. 15:350.
Spjut RWilliam.  2020.  Roots and Critical Points of Complex Polynomials: Applications of Algorithms in Real Algebra, Moment Theory, Convex Analysis, Optimization, and Positive Polynomials to a Conjecture in Pure Mathematics.
Steiauf D, Kioupakis E, Van de Walle CG.  2014.  Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.

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