Publications

Found 41 results
Author Title Type [ Year(Asc)]
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2014
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.
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.
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.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Zheng Y, Miao M-S, Zhang Y, Nguyen T-Q, Wudl F.  2014.  Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal of the American Chemical Society.
2013
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.
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.
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.
2012
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.
Lyons JL, Janotti A, Van de Walle CG.  2012.  Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors. Phys. Rev. Letters. 108:156403.
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.
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.
Zhu Z, Jiang H-C, Qi Y, Tian C-S, Weng Z-Y.  2012.  Strong correlation induced charge localization in antiferromagnets. arXiv preprint. arXiv:1212.6634
2011
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.

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