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2016

Kristoffersen HH, Metiu H. 2016. Interaction between Monomeric Vanadium Oxide Clusters Supported on Titania and Its Influence on Their Reactivity. Journal of Physical Chemistry C. 120(25)

M Ramirez D, Pairett AN, M Pankey S, Serb JM, Speiser DI, Swafford AJ, Oakley TH. 2016. The last common ancestor of bilaterian animals possessed at least 7 opsins. Genome Biology and Evolution . 8(12):052902.

Zheng X, Wu C, Liu D, Li H, Bitan G, Shea J-E, Bowers MThomas. 2016. Mechanism of C-Terminal Fragments of Amyloid $\beta$-Protein as A$\beta$ Inhibitors: Do C-Terminal Interactions Play a Key Role in Their Inhibitory Activity? Journal of Physical Chemistry B. 120(8):1615-1623.

Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG. 2016. Metal versus insulator behavior in ultrathin SrTiO 3-based heterostructures. Physical Review B. 94(3):035115(6).

Das S, Lee BHoon, Linstadt R, Cunha K, Li Y, Kaufman Y, Levine ZA, Lipshutz BH, Lins RD, Shea J-E et al.. 2016. Molecularly Smooth Self-Assembled Monolayer for High-Mobility Organic Field-Effect Transistors. Nano Letters. 16(10):6709-6715.

Petsev ND, L Leal G, M Shell S. 2016. Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics. Journal of Chemical Physics. 144(8):8.

Leonard JT, Yonkee BP, Cohen DA, Megalini L, Lee S, Speck JS, DenBaars SP, Nakamura S. 2016. Nonpolar III-nitride vertical-cavity surface-emitting laser with a photoelectrochemically etched air-gap aperture. Applied Physics Letters. 108:031111.

Kim S, Li W, Fredrickson GH, Hawker CJ, Kramer EJ. 2016. Order–disorder transition in thin films of horizontally-oriented cylinder-forming block copolymers: thermal fluctuations vs. preferential wetting. Soft Matter. 12:5915–5925.

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(21):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. 28:7898–7904.

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.

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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.