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2015

Kristoffersen HH, Metiu H. 2015. Reconstruction of Low-Index $\alpha$-V2O5 Surfaces. The Journal of Physical Chemistry C.

Mikhnenko OV, Collins SD, Nguyen T-Q. 2015. Rectifying Electrical Noise with an Ionic-Organic Ratchet. Advanced Materials. 27:2007–2012.

Levine ZA, Larini L, LaPointe NE, Feinstein SC, Shea J-E. 2015. Regulation and aggregation of intrinsically disordered peptides. Proceedings of the National Academy of Sciences. 112:2758–2763.

Rhein RK, Dodge PC, Chen M-H, Titus MS, Pollock TM, Van der Ven A. 2015. Role of vibrational and configurational excitations in stabilizing the L 1 2 structure in Co-rich Co-Al-W alloys. Physical Review B. 92:174117.

Wilber MQ, Kitzes J, Harte J. 2015. Scale collapse and the emergence of the power law species–area relationship. Global Ecology and Biogeography.

Li W, Ruth D, Gunton JD, Rickman JM. 2015. Selective encapsulation by Janus particles. The Journal of chemical physics. 142:244705.

Bjaalie L, Ouellette DG, Moetakef P, Cain TA, Janotti A, Himmetoglu B, Allen SJ, Stemmer S, Van de Walle CG. 2015. Small hole polarons in rare-earth titanates. Applied Physics Letters. 106:232103.

Garcia E.S, Tague CL. 2015. Soil storage influences climate–evapotranspiration interactions in three western United States catchments. Hydrology and Earth System Sciences Discussions. 12:7893–7931.

Stipčević M, Bowers J. 2015. Spatio-temporal optical random number generator. Optics Express. 23(9)

Guittet A, Theillard M, Gibou F. 2015. A stable projection method for the incompressible Navier–Stokes equations on arbitrary geometries and adaptive Quad/Octrees. Journal of Computational Physics. 292:215–238.

Weston L, Janotti A, Cui XY, Himmetoglu B, Stampfl C, Van de Walle CG. 2015. Structural and electronic properties of SrZrO 3 and Sr (Ti, Zr) O 3 alloys. Physical Review B. 92:085201.

Garcia ES, Tague CL. 2015. Subsurface storage capacity influences climate–evapotranspiration interactions in three western United States catchments. Hydrology and Earth System Sciences. 19:4845–4858.

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.

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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.