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

Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices
Choi, M., Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2013). Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices. Appl. Phys. Lett, 102, 142902. https://doi.org/http://dx.doi.org/10.1063/1.4801497
Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN
Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2013). Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys., 52, 08JJ04. https://doi.org/http://dx.doi.org/10.7567/JJAP.52.08JJ04
Impact of native defects in high-k dielectric oxides on GaN/oxide metal\textendashoxide\textendashsemiconductor devices
Choi, M., Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2013). Impact of native defects in high-k dielectric oxides on GaN/oxide metal\textendashoxide\textendashsemiconductor devices. Physica Status Solidi (B), 250, 787\textendash791.
Impact of Regiochemistry and Isoelectronic Bridgehead Sub-stitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores
Welch, G. C., Bakus, R. C., Teat, S. J., & Bazan, G. C. (2013). Impact of Regiochemistry and Isoelectronic Bridgehead Sub-stitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores. Journal Of The American Chemical Society, 135, 2298.
Initiation of Assembly of Tau(273-284) and its DK280 Mutant: An Experimental and Computational Study
Larini, L., Gessel, M. M., LaPointe, N. E., Do, T. D., Bowers, M., Feinstein, S. C., & Shea, J. -E. (2013). Initiation of Assembly of Tau(273-284) and its DK280 Mutant: An Experimental and Computational Study. Phys. Chem. Chem. Phys., 15, 8916-8928. https://doi.org/http://dx.doi.org/10.1039/C3CP00063J
Intra-and Inter-Frequency Brain Network Structure in Health and Schizophrenia
Siebenhuhner, F., Weiss, S. A., Coppola, R., Weinberger, D. R., & Bassett, D. S. (2013). Intra-and Inter-Frequency Brain Network Structure in Health and Schizophrenia. Plos One, 8. https://doi.org/10.1371/journal.pone.0072351 (Original work published 08/2013 C.E.)
Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25\textendash35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol
Bleiholder, C., Do, T. D., Wu, C., Economou, N. J., Bernstein, S. S., Buratto, S. K., et al. (2013). Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25\textendash35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol. Journal Of The American Chemical Society, 135, 16926\textendash16937.
Landau theory of topological defects in multiferroic hexagonal manganites
Artyukhin, S., Delaney, K. T., Spaldin, N. A., & Mostovoy, M. (2013). Landau theory of topological defects in multiferroic hexagonal manganites. Nature Materials. https://doi.org/doi:10.1038/nmat3786
LiH as a Li+ and H- ion provider
Hoang, K., & Van de Walle, C. G. (2013). LiH as a Li+ and H- ion provider. Solid State Ionics, 253, 53\textendash56.
Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3\textendashx Ce x Al5O12
George, N. C., Pell, A. J., Dantelle, G., Page, K., Llobet, A., Balasubramanian, M., et al. (2013). Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3\textendashx Ce x Al5O12. Chemistry Of Materials, 25, 3979\textendash3995.
Magnetism and local structure in low-dimensional Mott insulating GdTiO 3
Zhang, J. Y., Jackson, C. A., Raghavan, S., Hwang, J., & Stemmer, S. (2013). Magnetism and local structure in low-dimensional Mott insulating GdTiO 3. Physical Review B, 88, 121104.
Memory Efficient Minimum Substring Partitioning
Li, Y., Kamousi, P., Han, F., Yang, S., Yan, X., & Suri, S. (2013). Memory Efficient Minimum Substring Partitioning. Proc. Of The 39Th International Conference On Very Large Databases, Aug.
Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO (001)
Sun, X. Y., Li, B., & Metiu, H. (2013). Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO (001). The Journal Of Physical Chemistry C, 117, 7114\textendash7122.
Methane Oxidation by Lanthanum Oxide Doped with Cu, Zn, Mg, Fe, Nb, Ti, Zr, or Ta: the Connection Between the Activation Energy and the Energy of Oxygen-Vacancy Formation
Derk, A. R., Li, B., Sharma, S., Moore, G. M., McFarland, E. W., & Metiu, H. (2013). Methane Oxidation by Lanthanum Oxide Doped with Cu, Zn, Mg, Fe, Nb, Ti, Zr, or Ta: the Connection Between the Activation Energy and the Energy of Oxygen-Vacancy Formation. Catalysis Letters, 143, 406\textendash410. https://doi.org/10.1007/s10562-013-0985-7 (Original work published 03/2013 C.E.)
A micromechanical model for effective conductivity in granular electrode structures
Ott, J., Völker, B., Gan, Y., McMeeking, R. M., & Kamlah, M. (2013). A micromechanical model for effective conductivity in granular electrode structures. Acta Mechanica Sinica, 29, 682\textendash698.
Multiscale modeling with smoothed dissipative particle dynamics
Kulkarni, P. M., Fu, C. -C., Shell, S., & Leal, G. (2013). Multiscale modeling with smoothed dissipative particle dynamics. The Journal Of Chemical Physics, 138, 234105.
Native point defects and dangling bonds in alpha-Al2O3
Choi, M., Janotti, A., & Van de Walle, C. G. (2013). Native point defects and dangling bonds in alpha-Al2O3. Journal Of Applied Physics, 113(4), 44501.
Native point defects in LaAlO3 : A hybrid functional study
Choi, M., Janotti, A., & Van de Walle, C. G. (2013). Native point defects in LaAlO3 : A hybrid functional study. Phys. Rev. B, 88, 214117. https://doi.org/10.1103/PhysRevB.88.214117 (Original work published Dec)
Niche theory and the persistence of populations: applications to competitive communities and an infectious disease
Carroll, I. T. (2013). Niche theory and the persistence of populations: applications to competitive communities and an infectious disease. University of California, Santa Barbara.
Non-Fermi-liquid d-wave metal phase of strongly interacting electrons
Jiang, H. -C., Block, M. S., Mishmash, R. V., Garrison, J. R., Sheng, D. N., Motrunich, O. I., & Fisher, M. P. A. (2013). Non-Fermi-liquid d-wave metal phase of strongly interacting electrons. Nature, 493, 39-44.