Publications

Export 579 results:
2015
Gordon L, Varley JB, Lyons JL, Janotti A, Van de Walle CG.  2015.  Sulfur doping of AlN and AlGaN for improved n-type conductivity. physica status solidi (RRL)-Rapid Research Letters. 9:462–465.
Ganguly P, Do TD, Larini L, LaPointe NE, Sercel AJ, Shade MF, Feinstein SC, Bowers MT, Shea J-E.  2015.  Tau Assembly: The Dominant Role of PHF6 (VQIVYK) in Microtubule Binding Region Repeat R3. The Journal of Physical Chemistry B. 119:4582–4593.
Decolvenaere E, Gordon MJ, Van der Ven A.  2015.  Testing predictions from density functional theory at finite temperatures: $\beta$ 2-like ground states in Co-Pt. Physical Review B. 92:085119.
Zerze GH, Mullen RGotchy, Levine ZA, Shea J-E, Mittal J.  2015.  To what extent does surface hydrophobicity dictate peptide folding and stability near surfaces? Langmuir. 31(44):12223–12230.
Levine ZA, Fischer SA, Shea J-E, Pfaendtner J.  2015.  Trp-Cage Folding on Organic Surfaces. The Journal of Physical Chemistry B. 119:10417–10425.
Carilli MF, Delaney KT, Fredrickson GH.  2015.  Truncation-based energy weighting string method for efficiently resolving small energy barriers.. Journal of Chemical Physics. 143(5):054105.
Zhang JY, Hwang J, Isaac BJ, Stemmer S.  2015.  Variable-angle high-angle annular dark-field imaging: application to three-dimensional dopant atom profiling. Scientific reports. 5
Lewi T, Iyer PP, Butakov NA, Mikhailovsky AA, Schuller JA.  2015.  Widely tunable infrared antennas using free carrier refraction.. Nano Letters. 15(12):8188–8193.
2014
Brgoch J, Lehner AJ, Chabinyc M, Seshadri R.  2014.  Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics. The Journal of Physical Chemistry C. 118:27721–27727.
Dreyer C.E, Janotti A., Van de Walle C.G.  2014.  Absolute surface energies of polar and nonpolar planes of GaN. Phys. Rev. B. 89:081305.
Chrétien S, Metiu H.  2014.  Acid-Base Interaction and Its Role in Alkane Dissociative Chemisorption on Oxide Surfaces. J. Phys. Chem. C. 118:27336-27342.
Handa S, Lippincott DJ, Aue DH, Lipshutz BH.  2014.  Asymmetric Gold-Catalyzed Lactonizations in Water at Room Temperature. Angewandte Chemie International Edition. 53:10658–10662.
Steiauf D, Kioupakis E, Van de Walle CG.  2014.  Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
Janotti A, Bjaalie L, Himmetoglu B, Van de Walle CG.  2014.  Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.
Dreyer CE, Lyons JL, Janotti A, Van de Walle CG.  2014.  Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
Lyons JL, Steiauf D, Janotti A, Van de Walle CG.  2014.  Carbon as a Shallow Donor in Transparent Conducting Oxides. Physical Review Applied. 2:064005.
Garcia ES, Tague CL.  2014.  Climate regime and soil storage capacity interact to effect evapotranspiration in western United States mountain catchments. Hydrology and Earth System Sciences Discussions. 11:2277–2319.
Morriss-Andrews A, Brown FLeon Halet, Shea J-E.  2014.  A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface. The Journal of Physical Chemistry B.
Man X, Delaney KT, Villet MC, Orland H, Fredrickson GH.  2014.  Coherent states formulation of polymer field theory. The Journal of chemical physics. 140:024905.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.
Hammetter CI, Zok FW.  2014.  Compressive response of pyramidal lattices embedded in foams. Journal of Applied Mechanics. 81:011006.
Iwama T, Laachi N, Delaney KT, Kim BJ, Fredrickson GH.  2014.  Computational studies of shape rectification in directed self-assembly. Proc. SPIE 9049, Alternative Lithographic Technologies VI.
Abdeljawad F, Völker B, Davis R, McMeeking RM, Haataja M.  2014.  Connecting microstructural coarsening processes to electrochemical performance in solid oxide fuel cells: An integrated modeling approach. Journal of Power Sources. 250:319–331.
Denault KA, Brgoch J, Gaultois MW, Mikhailovsky A, Petry R, Winkler H, DenBaars SP, Seshadri R.  2014.  Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr x Ba2–x SiO4: Eu2+ Orthosilicate Phosphors. Chemistry of Materials. 26:2275–2282.
Susa AC, Wu C, Bernstein SL, Dupuis NF, Wang H, Raleigh DP, Shea J-E, Bowers MT.  2014.  Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions. Journal of the American Chemical Society.

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