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2016

Chen M-H, Thomas JC, Natarajan ARaju, Van der Ven A. 2016. Effects of strain on the stability of tetragonal ZrO 2. Physical Review B. 94(5):054108.

Huang D., Pintus P., Zhang C., Shoji Y., Mizumoto T., Bowers J.. 2016. Electrically Driven and Thermally Tunable Integrated Optical Isolators for Silicon Photonics. IEEE Journal of Selected Topics in Quantum Electronics. 22(6):4403408.

Iyer PP, Pendharkar M, Schuller JA. 2016. Electrically Reconfigurable Metasurfaces Using Heterojunction Resonators. Advanced Optical Materials.

Freysoldt C, Lange B, Neugebauer J, Yan Q, Lyons JL, Janotti A, Van de Walle CG. 2016. Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B. 93:165206.

Miao M-S, Botana J, Zurek E, Hu T, Liu J, Yang W. 2016. Electron counting and a large family of two-dimensional semiconductors. Chemistry of Materials. 28:1994–1999.

Bechtel JS, Seshadri R, Van der Ven A. 2016. Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal of Physical Chemistry C. 120(23):12403-12410.

Agarwal V, Metiu H. 2016. Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution. Journal of Physical Chemistry C. 120(4):2320-2323.

Li W, Delaney KT, Fredrickson GH. 2016. Fddd network phase in ABA triblock copolymer melts. Journal of Polymer Science Part B: Polymer Physics. 54:1112–1117.

Tsai CL, Delaney KT, Fredrickson GH. 2016. Genetic Algorithm for Discovery of Globally Stable Phases in Block Copolymers. Macromolecules. 49(17):6558–6567.

Lamontagne LK, Laurita G, Gaultois MW, Knight M, Ghadbeigi L, Sparks TD, Gruner ME, Pentcheva R, Brown CM, Seshadri R. 2016. High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2. Chemistry of Materials. 28(10):3367-3373.

Detrixhe M, Gibou F. 2016. Hybrid Massively Parallel Fast Sweeping Method for Static Hamilton-Jacobi Equations. Journal of Computational Physics. 322:199-223.

Zhu Z, Peelaers H, Van de Walle CG. 2016. Hydrogen intercalation in MoS 2. Physical Review B. 94(8):085426.

Ganguly P, van der Vegt NFA, Shea J-E. 2016. Hydrophobic Association in Mixed Urea–TMAO Solutions. Journal of Physical Chemistry Letters. 7(15):3052-3059.

Lyons JL, Krishnaswamy K, Gordon L, Janotti A, Van de Walle CG. 2016. Identification of microscopic hole-trapping mechanisms in nitride semiconductors. IEEE Electron Device Letters. 37:154–156.

Tailor HD, Lyons JL, Dreyer CE, Janotti A, Van de Walle CG. 2016. Impact of nitrogen and carbon on defect equilibrium in ZrO 2. Acta Materialia. 117:286–292.

Swift M, Van de Walle CG. 2016. Impact of Point Defects on Proton Conduction in Strontium Cerate. The Journal of Physical Chemistry C. 120:9562–9568.

Luo Y, Kim BJ, Montarnal D, Mester Z, Pester CW, McGrath AJ, Hill G, Kramer EJ, Fredrickson GH, Hawker CJ. 2016. Improved self-assembly of poly(dimethylsiloxane- {\textless}i{\textgreater}b{\textless}/i{\textgreater} -ethylene oxide) using a hydrogen-bonding additive. Journal of Polymer Science Part A: Polymer Chemistry. 54:2200–2208.

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.

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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.