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

2014

Mapping Orientational Order in a Bulk Heterojunction Solar Cell with Polarization-Dependent Photoconductive Atomic Force Microscopy
Takacs, C. J., Collins, S. D., Love, J. A., Mikhailovsky, A. A., Wynands, D., Bazan, G. C., et al. (2014). Mapping Orientational Order in a Bulk Heterojunction Solar Cell with Polarization-Dependent Photoconductive Atomic Force Microscopy. Acs Nano, 8, 8141\textendash8151.
Matrix cracking of fiber-reinforced ceramic composites in shear
Rajan, V. P., & Zok, F. W. (2014). Matrix cracking of fiber-reinforced ceramic composites in shear. Journal Of The Mechanics And Physics Of Solids.
Molecular Interactions and Ordering in Electrically Doped Polymers: Blends of PBTTT and F4TCNQ
Cochran, J. E., Junk, M. J. N., Glaudell, A. M., Miller, L., Cowart, J. S., Toney, M. F., et al. (2014). Molecular Interactions and Ordering in Electrically Doped Polymers: Blends of PBTTT and F4TCNQ. Macromolecules, 47, 6836\textendash6846.
A Multi-Species Exchange Model for Fully Fluctuating Polymer Field Theory Simulations
Düchs, D., Delaney, K. T., & Fredrickson, G. H. (2014). A Multi-Species Exchange Model for Fully Fluctuating Polymer Field Theory Simulations. Journal Of Chemical Physics, 141, 174103. https://doi.org/10.1063/1.4900574 (Original work published 11/2014 C.E.)
Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn
Douglas, J. E., Chater, P. A., Brown, C. M., Pollock, T. M., & Seshadri, R. (2014). Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn. Journal Of Applied Physics, 116, 163514.
Nucleation near the eutectic point in a Potts-lattice gas model
Agarwal, V., & Peters, B. (2014). Nucleation near the eutectic point in a Potts-lattice gas model. The Journal Of Chemical Physics, 140, 084111.
Numerical Scaling Studies of Kinetically-Limited Electrochemical Nucleation and Growth with Accelerated Stochastic Simulations
Bezzola, A., Bales, B. B., Petzold, L. R., & Alkire, R. C. (2014). Numerical Scaling Studies of Kinetically-Limited Electrochemical Nucleation and Growth with Accelerated Stochastic Simulations. Journal Of The Electrochemical Society, 161, E3001\textendashE3008.
Order-by-disorder and spin-orbital liquids in a distorted Heisenberg-Kitaev model
Sela, E., Jiang, H. -C., Gerlach, M. H., & Trebst, S. (2014). Order-by-disorder and spin-orbital liquids in a distorted Heisenberg-Kitaev model. Physical Review B, 90, 035113.
Ordering kinetics of a conserved binary mixture with a nematic liquid crystal component
Mata, M., ia-Cervera, C. J. G. \ \, & Ceniceros, H. D. (2014). Ordering kinetics of a conserved binary mixture with a nematic liquid crystal component. Journal Of Non-Newtonian Fluid Mechanics, 212, 18\textendash27.
Origins of optical absorption and emission lines in AlN
Yan, Q., Janotti, A., Scheffler, M., & Van de Walle, C. G. (2014). Origins of optical absorption and emission lines in AlN. Applied Physics Letters, 105, 111104.
Osiris: accessible and reproducible phylogenetic and phylogenomic analyses within the Galaxy workflow management system
Oakley, T. H., Alexandrou, M. A., Ngo, R., Pankey, S., Churchill, C. K., Chen, W., & Lopker, K. B. (2014). Osiris: accessible and reproducible phylogenetic and phylogenomic analyses within the Galaxy workflow management system. Bmc Bioinformatics, 15, 230.
Oxide interfaces for novel electronic applications
Bjaalie, L., Himmetoglu, B., Weston, L., Janotti, A., & Van de Walle, G. C. (2014). Oxide interfaces for novel electronic applications. New Journal Of Physics, 16, 025005.
Oxygen Adsorption on Irreducible Oxides Doped with Higher Valence Ions: O$_2$ Binding to the Dopant
etien, S. C. \, & Metiu, H. (2014). Oxygen Adsorption on Irreducible Oxides Doped with Higher Valence Ions: O$_2$ Binding to the Dopant. J. Phys. Chem. C, 118, 23070-23082. https://doi.org/10.1021/jp505918e
Parallel processing of filtered queries in attributed semantic graphs
Lugowski, A., Kamil, S., Buluc, A., Williams, S., Duriakova, E., Oliker, L., et al. (2014). Parallel processing of filtered queries in attributed semantic graphs. Journal Of Parallel And Distributed Computing.
Phase Coexistence Calculations of Reversibly Bonded Block Copolymers: A Unit Cell Gibbs Ensemble Approach
Mester, Z., Lynd, N. A., Delaney, K. T., & Fredrickson, G. H. (2014). Phase Coexistence Calculations of Reversibly Bonded Block Copolymers: A Unit Cell Gibbs Ensemble Approach. Macromolecules.
Phase stability and property evolution of biphasic Ti\textendashNi\textendashSn alloys for use in thermoelectric applications
Douglas, J. E., Birkel, C. S., Verma, N., Miller, V. M., Miao, M. -S., Stucky, G. D., et al. (2014). Phase stability and property evolution of biphasic Ti\textendashNi\textendashSn alloys for use in thermoelectric applications. Journal Of Applied Physics, 115, 043720\textendash043720. https://doi.org/http://dx.doi.org/+10.1063/1.4862955
Predictable transcriptome evolution in the convergent and complex bioluminescent organs of squid
Pankey, S., Minin, V. N., Imholte, G. C., Suchard, M. A., & Oakley, T. H. (2014). Predictable transcriptome evolution in the convergent and complex bioluminescent organs of squid. Proceedings Of The National Academy Of Sciences, 111, E4736\textendashE4742.
Pressure-stabilized lithium caesides with caesium anions beyond the- 1 state
Botana, J., & Miao, M. -S. (2014). Pressure-stabilized lithium caesides with caesium anions beyond the- 1 state. Nature Communications, 5.
Quadrites and Crossed-Chain Crystal Structures in Polymer Semiconductors
Takacs, C. J., Brady, M. A., Treat, N. D., Kramer, E. J., & Chabinyc, M. L. (2014). Quadrites and Crossed-Chain Crystal Structures in Polymer Semiconductors. Nano Letters, 14, 3096\textendash3101.
Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5
Misch, L. M., Brgoch, J., Birkel, A., Mates, T. E., Stucky, G. D., & Seshadri, R. (2014). Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic Chemistry.