Publications

Found 41 results
Author Title [ Type(Desc)] Year
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Journal Article
Duff N, Dahal YRaj, Schmit JD, Peters B.  2014.  Salting out the polar polymorph: Analysis by alchemical solvent transformation. The Journal of chemical physics. 140:014501.
Griffin SM, Lilienblum M, Delaney KT, Kumagai Y, Fiebig M, Spaldin NA.  2012.  Scaling Behavior and Beyond Equilibrium in the Hexagonal Manganites. Physical Review X. 2(4):41022.
Frostad JM, Walter J, Leal LG.  2013.  A scaling relation for the capillary-pressure driven drainage of thin films. Physics of Fluids (1994-present). 25:052108.
Pala R.GS, Metiu H..  2008.  Selective promotion of different modes of methanol adsorption via the cation substitutional doping of a ZnO (101bar0) surface. J. Catalysis. 254(2):325-331.
Hur S-M, Frischknecht AL, Huber DL, Fredrickson GH.  2013.  Self-assembly in a mixed polymer brush with inhomogeneous grafting density composition. Soft Matter. 9:5341–5354.
Li W, Chakrabarti A, Gunton JD.  2013.  Self-Assembly of a Bipolar Model of Biomacromolecules. Langmuir. 29:4470.
Hur S., Frischknecht A.L, Huber D.L, Fredrickson G.H.  2011.  Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush. Soft Mater.. 7:8776.
Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2014.  Self-consistent field theory investigation of directed self-assembly in cylindrical confinement. Journal of Polymer Science Part B: Polymer Physics.
Bellesia G., Jewett A.I, Shea J.-E..  2010.  Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
Lyons JL, Janotti A, Van de Walle CG.  2012.  Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors. Phys. Rev. Letters. 108:156403.
Nazarian O, Zok FW.  2014.  Shear-Dominated Plastic Behavior of a Cross-ply Dyneema® Composite. Composites Part A: Applied Science and Manufacturing.
Calusine G, Politi A, Awschalom DD.  2014.  Silicon carbide photonic crystal cavities with integrated color centers. Applied Physics Letters. 105:-.
Teng Y, Otaduy MA, Madrid URJC, Kim T.  2014.  Simulating Articulated Subspace Self-Contact. SIGGRAPH 2014.
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.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
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.
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.
Umezawa N., Shiraishi K., Chikyow T..  2009.  Stability of Si impurity in high-? oxides Microelectronic Engineering. 86:1780.
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.

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