Publications

2013
Yu J, Scheffler M, Metiu H.  2013.  Oxidative Dehydrogenation of Methane by Isolated Vanadium Oxide Clusters Supported on Au (111) and Ag (111) Surfaces. The Journal of Physical Chemistry C. 117:18475–18483.
Kalantari NKhademi, Shechtman E, Barnes C, Darabi S, Goldman DB, Sen P.  2013.  Patch-Based High Dynamic Range Video. ACM Transactions on Graphics (TOG). 32:202.
Oakley TH, Wolfe JM, Lindgren AR, Zaharoff AK.  2013.  Phylotranscriptomics to Bring the Understudied into the Fold: Monophyletic Ostracoda, Fossil Placement and Pancrustacean Phylogeny. Molecular Biology and Evolution. 30(1):215.
Delaney KT, Fredrickson GH.  2013.  Polymer Field-Theory Simulations on Graphics Processing Units. Comp Phys Comm. (in press)
Brgoch J, DenBaars SP, Seshadri R.  2013.  Proxies from Ab Initio Calculations for Screening Efficient Ce3+ Phosphor Hosts. The Journal of Physical Chemistry C. 117:17955–17959.
Gordon L, Weber JR, Varley JB, Janotti A, Awschalom DD, Van de Walle CG.  2013.  Quantum computing with defects. MRS Bulletin. 38:802–807.
Takacs CJ, Treat ND, Krämer S, Chen Z, Facchetti A, Chabinyc ML, Heeger AJ.  2013.  Remarkable Order of a High-Performance Polymer. Nano Letters. 13(6):2522–2527.
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.
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.
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.
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.
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.
Jang SGyu, Audus DJ, Klinger D, Krogstad DV, Kim BJ, Cameron A, Kim S-W, Delaney KT, Hur S-M, Killops KL et al..  2013.  Striped, Ellipsoidal Particles by Controlled Assembly of Diblock Copolymers. Journal of the American Chemical Society. 135(17):6649.
Zhu Z, Jiang H-C, Qi Y, Tian C-S, Weng Z-Y.  2013.  Strong correlation induced charge localization in antiferromagnets. Scientific Reports. 3
Lee JHee, Delaney KT, Bousquet E, Spaldin NA, Rabe KM.  2013.  Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3. Physical Review B. 88:174426.
Hwang J, Son J, Zhang JY, Janotti A, Van de Walle CG, Stemmer S.  2013.  Structural origins of the properties of rare earth nickelate superlattices. Phys. Rev. B. 87(6):60101.
Wu C, Shea J-E.  2013.  Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. PLoS computational biology. 9:e1003211.
Guide M, Pla S, Sharenko A, Zalar P, Fernández-Lázaro F, Sastre-Santos A, Nguyen T‐Q.  2013.  A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells.. Physical Chemistry Chemical Physics. 15:18894–18899.
Kim T, Delaney J.  2013.  Subspace Fluid Re-Simulation. Proceedings of ACM SIGGRAPH. (in press)
Zhang JY, Hwang J, Raghavan S, Stemmer S.  2013.  Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical review letters. 110:256401.
Kioupakis E, Yan Q, Steiauf D, Van de Walle CG.  2013.  Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal of Physics. 15:125006.
Mishmash RV, Garrison JR, Bieri S, Xu C.  2013.  Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. arXiv preprint arXiv:1307.0829.
Watson MC, Morriss-Andrews A, Welch PM, Brown FLH.  2013.  Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal of chemical physics. 139:084706.
Hwang J, Zhang JY, D’Alfonso AJ, Allen LJ, Stemmer S.  2013.  Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3. Physical Review Letters. 111:266101.

Pages