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2015

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.

Liu X, Sun Y, Hsu BBY, Lorbach A, Qi L, Heeger AJ, Bazan GC. 2014. Design and Properties of Intermediate-Sized Narrow Band-Gap Conjugated Molecules Relevant to Solution-Processed Organic Solar Cells. Journal of the American Chemical Society. 136:5697–5708.

Hammetter CIan. 2014. Designing pyramidal lattice structures for energy absorption.

Levine ZA, Venable RM, Watson MC, Lerner MG, Shea J-E, Pastor RW, Brown FLH. 2014. Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations. Journal of the American Chemical Society. 136:13582–13585.

Pereira JClayston M, Iretskii AV, Han R-M, Ford PC. 2014. Dinitrosyl Iron Complexes with Cysteine. Kinetics Studies of the Formation and Reactions of DNICs in Aqueous Solution. Journal of the American Chemical Society.

Garcia ESusan. 2014. Ecohydrologic Modeling in Three Western U.S. Mountain Watersheds: Implications of Climate, Soil, and Carbon Cycling Interactions for Streamflow.

Lyons JL, Janotti A, Van de Walle CG. 2014. Effects of carbon on the electrical and optical properties of InN, GaN, and AlN. Physical Review B. 89:035204.

Lyons JL, Janotti A, Van de Walle CG. 2014. Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal of Applied Physics. 115:012014.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.