Publications

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2016

Agarwal V, Metiu H. 2016. Oxygen Vacancy Formation on $\alpha$-MoO3 Slabs and Ribbons. Journal of Physical Chemistry C. 120(34):19252-19264.

Goiri JGabriel, Van der Ven A. 2016. Phase and structural stability in Ni-Al systems from first principles. Physical Review B. 94(9):14.

Liu J, Delaney KT, Fredrickson GH. 2016. Phase field mapping for accurate, ultrafast simulations of directed self-assembly. SPIE Advanced Lithography.

Bjaalie L, Janotti A, Krishnaswamy K, Van de Walle CG. 2016. Point defects, impurities, and small hole polarons in GdTiO 3. Physical Review B. 93:115316.

Guo H, Yang X. 2016. Polynomial Preserving Recovery for High Frequency Wave Propagation. Journal of Scientific Computing. 69(1):1–21.

Brady LT, van Dam W. 2016. Quantum Monte Carlo simulations of tunneling in quantum adiabatic optimization. Physical Review A. 93:032304.

Huang C, Kristoffersen HH, Gong X-Q, Metiu H. 2016. Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes. Journal of Physical Chemistry C. 120(9):4931–4936.

Delaney KT, Fredrickson GH. 2016. Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions. Journal of Physical Chemistry B. 120(31):7615-7634.

Wang W, Janotti A, Van de Walle CG. 2016. Role of oxygen vacancies in crystalline WO 3. Journal of Materials Chemistry C.

Hauser AJ, Mikheev E, Kajdos AP, Janotti A. 2016. Small polaron-related recombination in BaxSr1- xTiO3 thin films by cathodoluminescence spectroscopy. Applied Physics Letters. 108:102901.

Radin MD, Van der Ven A. 2016. Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28:7898–7904.

Radin MD, Van der Ven A. 2016. Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28(21):7898–7904.

Vinckeviciute J, Radin MD, Van der Ven A. 2016. Stacking-sequence changes and Na ordering in layered intercalation materials. Chemistry of Materials. 28:8640–8650.

Martin JM, Li W, Delaney KT, Fredrickson GH. 2016. Statistical field theory description of inhomogeneous polarizable soft matter. Journal of Chemical Physics. 145(15):154104.

Kristoffersen HH, Metiu H. 2016. Structure and Oxidizing Power of Single Layer $\alpha$-V2O5. Topics in Catalysis. 59:809–816.

Kristoffersen HH, Metiu H. 2016. Structure of V2O5· n H2O Xerogels. The Journal of Physical Chemistry C. 120:3986–3992.

Levine ZA, Rapp MV, Wei W, Mullen RGotchy, Wu C, Zerze GH, Mittal J, J Waite H, Israelachvili JN, Shea J-E. 2016. Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces. Proceedings of the National Academy of Sciences. :201603065.

Lyons JL, Van de Walle CG. 2016. Surprising stability of neutral interstitial hydrogen in diamond and cubic BN. Journal of Physics: Condensed Matter. 28:06LT01.

Johnson KM, Hofmann GE. 2016. A transcriptome resource for the Antarctic pteropod Limacina helicina antarctica. Marine Genomics. 28:25-28.

Himmetoglu B, Janotti A. 2016. Transport properties of KTaO3 from first-principles. Journal of Physics: Condensed Matter. 28:065502.

Himmetoglu B. 2016. Tree based machine learning framework for predicting ground state energies of molecules. Journal of Chemical Physics. 145(13):9.

Evans HA, Lehner AJ, Labram JG, Fabini DH, Barreda O, Smock SR, Wu G, Chabinyc ML, Seshadri R, Wudl F. 2016. (TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures. Chemistry of Materials. 28:3607-3611.

Garcia ES, Tague CL, Choate JS. 2016. Uncertainty in carbon allocation strategy and ecophysiological parameterization influences on carbon and streamflow estimates for two western US forested watersheds. Ecological Modelling. 342:19-33.

Yan L, DeGiuli E, Wyart M. 2016. On variational arguments for vibrational modes near jamming. EPL (Europhysics Letters). 114:26003.

Lewi T, Iyer PP, Butakov NA, Mikhailovsky AA, Schuller JA. 2016. Widely tunable infrared semiconductor Mie resonators. Proc. SPIE 9918, Metamaterials, Metadevices, and Metasystems.

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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.