Publications

Journal Article
Plunkett P, Camley BA, Weirich KL, Israelachvili J, Atzberger PJ.  2013.  Simulation of edge facilitated adsorption and critical concentration induced rupture of vesicles at a surface. Soft Matter. 9:8420–8427.
Levine ZA, Shea J-E.  2017.  Simulations of disordered proteins and systems with conformational heterogeneity. Current Opinion in Structural Biology. 43:95–103.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Miao M-S, Lambrecht WRL.  2012.  Single well or double well: First-principles study of 8H and 3C inclusions in the 4H SiC polytype. Physical Review B. 85(20):205318.
Peng Y, Xie S, Zheng Y, Brown FLH.  2009.  Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.
Joswiak MN, Duff N, Doherty MF, Peters B.  2013.  Size-Dependent Surface Free Energy and Tolman-Corrected Droplet Nucleation of TIP4P/2005 Water. The Journal of Physical Chemistry Letters. 4:4267-4272.
Bjaalie L, Ouellette DG, Moetakef P, Cain TA, Janotti A, Himmetoglu B, Allen SJ, Stemmer S, Van de Walle CG.  2015.  Small hole polarons in rare-earth titanates. Applied Physics Letters. 106:232103.
Hauser AJ, Mikheev E, Kajdos AP, Janotti A.  2016.  Small polaron-related recombination in BaxSr1- xTiO3 thin films by cathodoluminescence spectroscopy. Applied Physics Letters. 108:102901.
Garcia E.S, Tague CL.  2015.  Soil storage influences climate–evapotranspiration interactions in three western United States catchments. Hydrology and Earth System Sciences Discussions. 12:7893–7931.
Takacs CJ, Sun Y, Welch GC, Perez LA, Liu X, Wen W, Bazan GC, Heeger AJ.  2012.  Solar cell efficiency, self-assembly and dipole-dipole interactions of isomorphic narrow bandgap molecules. Journal of the American Chemical Society. 134:16597.
Singh A.K, Janotti A., Scheffler M., Van de Walle C.G.  2008.  Sources of Electrical Conductivity in SnO2. Phys. Rev. Lett.. 101:55502.
Janotti A., Van de Walle C.G.  2008.  Sources of unintentional n-type conductivity in InN. Appl. Phys. Lett.. 92:32104.
Stipčević M, Bowers J.  2015.  Spatio-temporal optical random number generator. Optics Express. 23(9)
Radin MD, Van der Ven A.  2016.  Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28:7898–7904.
Radin MD, Van der Ven A.  2016.  Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28(21):7898–7904.
Umezawa N., Shiraishi K., Chikyow T..  2009.  Stability of Si impurity in high-? oxides Microelectronic Engineering. 86:1780.
Kristoffersen HH, Neilson HL, Buratto SK, Metiu H.  2017.  Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms. The Journal of Physical Chemistry C. 121:8444–8451.
Guittet A, Theillard M, Gibou F.  2015.  A stable projection method for the incompressible Navier–Stokes equations on arbitrary geometries and adaptive Quad/Octrees. Journal of Computational Physics. 292:215–238.
Vinckeviciute J, Radin MD, Van der Ven A.  2016.  Stacking-sequence changes and Na ordering in layered intercalation materials. Chemistry of Materials. 28:8640–8650.
Martin JM, Li W, Delaney KT, Fredrickson GH.  2016.  Statistical field theory description of inhomogeneous polarizable soft matter. Journal of Chemical Physics. 145(15):154104.
Miao M, Brgoch J, Krishnapriyan A, Goldman A, Kurzman JA, Seshadri R.  2013.  On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.
Yan Q, Rinke P, Winkelnkemper M, Qteish A, Bimberg D, Scheffler M, Van de Walle CG.  2012.  Strain effects and band parameters in MgO, ZnO, and CdO. Appl. Phys. Lett.. 101:152105.
Yan Q, Rinke P, Scheffler M, Van de Walle CG.  2009.  Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
Yan Q, Rinke P, Scheffler M, Van de Walle CG.  2009.  Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
Janotti A., Steiauf D., Van de Walle C.G.  2011.  Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities. Phys. Rev. B. 84:201304.

Pages