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2013

Jang SGyu, Audus DJ, Klinger D, Krogstad DV, Kim BJ, Cameron A, Kim S-W, Delaney KT, Hur S-M, Killops KL et al.. 2013. Striped, Ellipsoidal Particles by Controlled Assembly of Diblock Copolymers. Journal of the American Chemical Society. 135(17):6649.

Zhu Z, Jiang H-C, Qi Y, Tian C-S, Weng Z-Y. 2013. Strong correlation induced charge localization in antiferromagnets. Scientific Reports. 3

Lee JHee, Delaney KT, Bousquet E, Spaldin NA, Rabe KM. 2013. Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3. Physical Review B. 88:174426.

Hwang J, Son J, Zhang JY, Janotti A, Van de Walle CG, Stemmer S. 2013. Structural origins of the properties of rare earth nickelate superlattices. Phys. Rev. B. 87(6):60101.

Wu C, Shea J-E. 2013. Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. PLoS computational biology. 9:e1003211.

Guide M, Pla S, Sharenko A, Zalar P, Fernández-Lázaro F, Sastre-Santos A, Nguyen T‐Q. 2013. A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells.. Physical Chemistry Chemical Physics. 15:18894–18899.

Kim T, Delaney J. 2013. Subspace Fluid Re-Simulation. Proceedings of ACM SIGGRAPH. (in press)

Zhang JY, Hwang J, Raghavan S, Stemmer S. 2013. Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical review letters. 110:256401.

Kioupakis E, Yan Q, Steiauf D, Van de Walle CG. 2013. Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal of Physics. 15:125006.

Mishmash RV, Garrison JR, Bieri S, Xu C. 2013. Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. arXiv preprint arXiv:1307.0829.

Watson MC, Morriss-Andrews A, Welch PM, Brown FLH. 2013. Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal of chemical physics. 139:084706.

Hwang J, Zhang JY, D’Alfonso AJ, Allen LJ, Stemmer S. 2013. Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3. Physical Review Letters. 111:266101.

Oliveira RM, Meiburg E. 2013. Three-Dimensional Vorticity Configurations in Miscible Hele-Shaw Displacements. Procedia IUTAM. 7:203–212.

Ivanovskaya A, Singh N, Liu R-F, Kreutzer H, Baltrusaitis J, Van Nguyen T, Metiu H, McFarland E. 2013. Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir. 29:480.

Hung H-H, Ghaemi P, Hughes TL, Gilbert MJ. 2013. Vortex lattices in the superconducting phases of doped topological insulators and heterostructures. Physical Review B. 87(3):35401.

Martirosyan GG, Kurtikyan TS, Azizyan AS, Iretskii AV, Ford PC. 2013. Weak coordination of neutral S-and O-donor proximal ligands to a ferrous porphyrin nitrosyl. Characterization of 6-coordinate complexes at low T. Journal of Inorganic Biochemistry. 121:129.

2012

Griffin SM, Spaldin NA. 2012. Ab initio investigation of FeAs/GaAs heterostructures for potential spintronic and superconducting applications. Physical Review B. 85(15):155126.

Vannozzi C.. 2012. Coalescence of surfactant covered drops in extensional flows-Effects of the interfacial diffusivity. Physics of Fluids. 24:82101.

Roberts C, Yan Q, Miao M-S, Van de Walle CG. 2012. Confinement effects on valence-subband character and polarization anisotropy in (1122) semipolar InGaN/GaN quantum wells. Journal of Applied Physics. 111:73113.

Camley BA, Brown FLH. 2012. Contributions to membrane-embedded-protein diffusion beyond hydrodynamic theories. Phys. Rev. E. 85:61921.

Janotti A, Bjaalie L, Gordon L, Van de Walle CG. 2012. Controlling the density of the two-dimensional electron gas at the SrTiO3-LaAlO3 interface. Phys. Rev. B. 86(24):241108.

Hoang K., Janotti A., Van de Walle C.G. 2012. Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate. Phys. Chem. Chem. Phys.. 14:2840.

Takahashi H., Laachi N., Delaney K.T, Hur S.-M., Weinheimer C.J, Shykind D., Fredrickson G.H. 2012. Defectivity in Laterally Confined Lamella-Forming Diblock Copolymers: Thermodynamic and Kinetic Aspects.. Macromolecules. 45:6253.

Watson MC, Brandt EG, Welch PM, Brown FLH. 2012. Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett. 109:28102.

Li B, Metiu H. 2012. Does Halogen Adsorption Activate the Oxygen Atom on an Oxide Surface? I. A Study of Br 2 and HBr Adsorption on La 2 O 3 and La 2 O 3 Doped with Mg or Zr Journal of Physical Chemistry C. 116(6):4137–4148.

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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.