Publications

CSC research acknowledged in publications and presentations.

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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 2308708) at UC Santa Barbara.

Selected Publications

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
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.
A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells.
Guide, M., Pla, S., Sharenko, A., Zalar, P., azaro, F. F. \ andez-L. \, 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\textendash18899. https://doi.org/10.1039/c3cp53552e (Original work published oct)
Subspace Fluid Re-Simulation
Kim, T., & Delaney, J. (2013). Subspace Fluid Re-Simulation. Proceedings Of Acm Siggraph, (in press). Retrieved de http://www.mat.ucsb.edu/\%7Ekim/RESIM/KimDelaney2013.pdf
Symmetry lowering in extreme-electron-density perovskite quantum wells
Zhang, J. Y., Hwang, J., Raghavan, S., & Stemmer, S. (2013). Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical Review Letters, 110, 256401.
Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices
Kioupakis, E., Yan, Q., Steiauf, D., & Van de Walle, C. G. (2013). Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal Of Physics, 15, 125006.
Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2
Mishmash, R., Garrison, J. R., 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.
Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions
Watson, M. C., Morriss-Andrews, A., Welch, P. M., & Brown, F. L. H. (2013). Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal Of Chemical Physics, 139, 084706.
Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3
Hwang, J., Zhang, J. Y., D\textquoterightAlfonso, A. J., Allen, L. J., & Stemmer, S. (2013). Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3. Physical Review Letters, 111, 266101.
Three-Dimensional Vorticity Configurations in Miscible Hele-Shaw Displacements
Oliveira, R. M., & Meiburg, E. (2013). Three-Dimensional Vorticity Configurations in Miscible Hele-Shaw Displacements. Procedia Iutam, 7, 203\textendash212. https://doi.org/10.1016/j.piutam.2013.03.024 (Original work published 01/2013 C.E.)
Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis
Ivanovskaya, A., Singh, N., Liu, R. -F., Kreutzer, H., Baltrusaitis, J., Van Nguyen, T., et al. (2013). Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir, 29, 480.
Vortex lattices in the superconducting phases of doped topological insulators and heterostructures
Hung, H. -H., Ghaemi, P., Hughes, T. L., & Gilbert, M. J. (2013). Vortex lattices in the superconducting phases of doped topological insulators and heterostructures. Physical Review B, 87(3), 35401.
Weak coordination of neutral S-and O-donor proximal ligands to a ferrous porphyrin nitrosyl. Characterization of 6-coordinate complexes at low T
Martirosyan, G. G., Kurtikyan, T. S., Azizyan, A. S., Iretskii, A. V., & Ford, P. C. (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

Ab initio investigation of FeAs/GaAs heterostructures for potential spintronic and superconducting applications
Griffin, S. \ ead M., & Spaldin, N. A. (2012). Ab initio investigation of FeAs/GaAs heterostructures for potential spintronic and superconducting applications. Physical Review B, 85, 155126. https://doi.org/10.1103/PhysRevB.85.155126 (Original work published 04/2012 C.E.)
Coalescence of surfactant covered drops in extensional flows-Effects of the interfacial diffusivity
Vannozzi, C. (2012). Coalescence of surfactant covered drops in extensional flows-Effects of the interfacial diffusivity. Physics Of Fluids, 24, 82101.
Confinement effects on valence-subband character and polarization anisotropy in (1122) semipolar InGaN/GaN quantum wells
Roberts, C., Yan, Q., Miao, M. -S., & Van de Walle, C. G. (2012). Confinement effects on valence-subband character and polarization anisotropy in (1122) semipolar InGaN/GaN quantum wells. Journal Of Applied Physics, 111, 73113.
Contributions to membrane-embedded-protein diffusion beyond hydrodynamic theories
Camley, B. A., & Brown, F. L. H. (2012). Contributions to membrane-embedded-protein diffusion beyond hydrodynamic theories. Phys. Rev. E, 85, 61921.
Controlling the density of the two-dimensional electron gas at the SrTiO3-LaAlO3 interface
Janotti, A., Bjaalie, L., Gordon, L., & Van de Walle, C. G. (2012). Controlling the density of the two-dimensional electron gas at the SrTiO3-LaAlO3 interface. Phys. Rev. B, 86(24), 241108.
Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate
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.
Defectivity in Laterally Confined Lamella-Forming Diblock Copolymers: Thermodynamic and Kinetic Aspects.
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.
Determining Biomembrane Bending Rigidities from Simulations of Modest Size
Watson, M. C., Brandt, E. G., Welch, P. M., & Brown, F. L. H. (2012). Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett, 109, 28102.