Publications

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2017

Zhu Z, Peelaers H, Van de Walle CG. 2017. Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.

Siouri FM, Boldissar S, Berenbeim J, De Vries MS. 2017. Excited State Dynamics of 6-Thioguanine. The Journal of Physical Chemistry A.

Berenbeim JA, Boldissar S, Siouri FM, Gate G, Haggmark MR, Aboulache B, Cohen T, De Vries MS. 2017. Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics. The Journal of Physical Chemistry Letters. 8:5184–5189.

Thomas JC, Van der Ven A. 2017. The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials. Journal of the Mechanics and Physics of Solids. 107:76–95.

Kirchhofer ND, Rengert ZD, Dahlquist FW, Nguyen T-Q, Bazan GC. 2017. A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem. 2:240–257.

Krishnaswamy K, Himmetoglu B, Kang Y, Janotti A, Van de Walle CG. 2017. First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.

Lyons JL, Varley JB, Steiauf D, Janotti A, Van de Walle CG. 2017. First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.

Natarajan ARaju, Van der Ven A. 2017. First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.

Su GM, Patel SN, Pemmaraju CD, Prendergast D, Chabinyc ML. 2017. First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal of Physical Chemistry C. 121:9142–9152.

Delgadillo R, Yang X, Zhang J. 2017. Frozen Gaussian Approximation-Based Artificial Boundary Conditions for One-Dimensional Nonlinear Schrödinger Equation in the Semiclassical Regime. Journal of Scientific Computing. :1–20.

Kang Y, Krishnaswamy K, Peelaers H, Van de Walle CG. 2017. Fundamental limits on the electron mobility of $\beta$-Ga2O3. Journal of Physics: Condensed Matter. 29:234001.

Shelton E, Serwane F, CampÀs O. 2017. Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data. Journal of microscopy. 269:259–268.

Schmidt BVKJ, Wang CX, Kraemer S, Connal LA, Klinger D. 2017. Highly functional ellipsoidal block copolymer nanoparticles: a generalized approach to nanostructured chemical ordering in phase separated colloidal particles. Polymer Chemistry.

Wang M, Ford MJ, Lill AT, Phan H, Nguyen T-Q, Bazan GC. 2017. Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units. Advanced Materials. 29

Weston L, Wickramaratne D, Van de Walle CG. 2017. Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B. 96:100102.

Adamski NL, Zhu Z, Wickramaratne D, Van de Walle CG. 2017. Hybrid functional study of native point defects and impurities in ZnGeN2. Journal of Applied Physics. 122:195701.

Miao M, Botana J, Pravica M, Sneed D, Park C. 2017. Inner-shell chemistry under high pressure. Japanese Journal of Applied Physics. 56:05FA10.

Peelaers H, Van de Walle CG. 2017. Lack of quantum confinement in Ga 2 O 3 nanolayers. Physical Review B. 96:081409.

Liu EE, Gang C, Zeller M, Fabini DH, Oertel CM. 2017. Ligand-Induced Variations in Symmetry and Structural Dimensionality of Lead Oxide Carboxylates. Crystal Growth & Design. 17:1574–1582.

Wang M, Ford MJ, Zhou C, Seifrid M, Nguyen T-Q, Bazan GC. 2017. Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors. Journal of the American Chemical Society. 139:17624–17631.

Hyatt K, Garrison JR, Potter AC, Bauer B. 2017. Many-body localization in the presence of a small bath. Physical Review B. 95:035132.

alap-Ayça SŞ, Jankowski P, Clarke KC, Kyriakidis PC, Nara A. 2017. A meta-modeling approach for spatio-temporal uncertainty and sensitivity analysis: an application for a cellular automata-based Urban growth and land-use change model. International Journal of Geographical Information Science. 32:637–662.

Isley NA, Wang Y, Gallou F, Handa S, Aue DH, Lipshutz BH. 2017. A Micellar Catalysis Strategy for Suzuki–Miyaura Cross-Couplings of 2-Pyridyl MIDA Boronates: No Copper, in Water, Very Mild Conditions. ACS Catalysis. 7:8331–8337.

Pintus P, Huang D, Zhang C, Shoji Y, Mizumoto T, Bowers JE. 2017. Microring-based Optical Isolator and Circulator with Integrated Electromagnet for Silicon Photonics. Journal of Lightwave Technology.

Pintus P, Huang D, Zhang C, Shoji Y, Mizumoto T, Bowers JE. 2017. Microring-based optical isolator and circulator with integrated electromagnet for silicon photonics. Journal of Lightwave Technology. 35:1429–1437.

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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.