Publications

CSC research acknowledged in publications and presentations.

Please remember to continue to acknowledge the use of CSC resources with

 

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

2016

Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides
Dreyer, C. E., Janotti, A., Van de Walle, C. G., & Vanderbilt, D. (2016). Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides. Physical Review X, 6, 021038. https://doi.org/10.1103/PhysRevX.6.021038 (Original work published 06/2016 C.E.)
Critical length of a one-dimensional nucleus
Joswiak, M. N., Doherty, M. F., & Peters, B. (2016). Critical length of a one-dimensional nucleus. Journal Of Chemical Physics, 145, 6. https://doi.org/10.1063/1.4962448 (Original work published 12/2016 C.E.)
Cyclic Solvent Annealing Improves Feature Orientation in Block Copolymer Thin Films
Paradiso, S. P., Delaney, K. T., ia-Cervera, C. J. G. \ \, Ceniceros, H. D., & Fredrickson, G. H. (2016). Cyclic Solvent Annealing Improves Feature Orientation in Block Copolymer Thin Films. Macromolecules, 49, 1743\textendash1751. https://doi.org/10.1021/acs.macromol.5b02107 (Original work published 03/2016 C.E.)
Defects in AlN as candidates for solid-state qubits
Varley, J. B., Janotti, A., & Van de Walle, C. G. (2016). Defects in AlN as candidates for solid-state qubits. Physical Review B, 93, 161201. https://doi.org/10.1103/PhysRevB.93.161201 (Original work published 04/2016 C.E.)
Directed self-assembly of diblock copolymers in multi-VIA configurations: effect of chemopatterned substrates on defectivity
Carpenter, C. L., Delaney, K. T., & Fredrickson, G. H. (2016). Directed self-assembly of diblock copolymers in multi-VIA configurations: effect of chemopatterned substrates on defectivity (Vol. 9779, p. 97791E). International Society for Optics and Photonics. https://doi.org/10.1117/12.2218644 (Original work published 03/2016 C.E.)
On the Distribution of Worker Productivity: The Case of Teacher Effectiveness and Student Achievement
Goldhaber, D., & Startz, R. (2016). On the Distribution of Worker Productivity: The Case of Teacher Effectiveness and Student Achievement. Statistics And Public Policy, 4. https://doi.org/10.1080/2330443X.2016.1271733 (Original work published 12/2016 C.E.)
Donor defects and small polarons on the TiO2 (110) surface
Moses, P. G., Janotti, A., Franchini, C., Kresse, G., & Van de Walle, C. G. (2016). Donor defects and small polarons on the TiO2 (110) surface. Journal Of Applied Physics, 119, 181503. https://doi.org/10.1063/1.4948239 (Original work published 05/2016 C.E.)
Dwarf nova outbursts with magnetorotational turbulence
Coleman, M. S. B., Kotko, I., Blaes, O., Lasota, J. -P., & Hirose, S. (2016). Dwarf nova outbursts with magnetorotational turbulence. Monthly Notices Of The Royal Astronomical Society, 462, 3710\textendash3726. https://doi.org/10.1093/mnras/stw1908 (Original work published 08/2016 C.E.)
Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3
Fabini, D. H., Laurita, G., Bechtel, J. S., Stoumpos, C. C., Evans, H. A., Kontos, A. G., et al. (2016). Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3. Journal Of The American Chemical Society, 138, 11820\textendash11832. https://doi.org/10.1021/jacs.6b06287 (Original work published 09/2016 C.E.)
Effect of chiral 2-ethylhexyl side chains on chiroptical properties of the narrow bandgap conjugated polymers PCPDTBT and PCDTPT
Fronk, S. L., Wang, M., Ford, M., Coughlin, J., Mai, C. -K., & Bazan, G. C. (2016). Effect of chiral 2-ethylhexyl side chains on chiroptical properties of the narrow bandgap conjugated polymers PCPDTBT and PCDTPT. Chemical Science, 7, 5313-5321. https://doi.org/10.1039/C6SC00908E (Original work published 08/2016 C.E.)
Effects of strain on the stability of tetragonal ZrO 2
Chen, M. -H., Thomas, J. C., Natarajan, A. R., & Van der Ven, A. (2016). Effects of strain on the stability of tetragonal ZrO 2. Physical Review B, 94, 054108. https://doi.org/10.1103/PhysRevB.94.054108 (Original work published 08/2016 C.E.)
Electrically Driven and Thermally Tunable Integrated Optical Isolators for Silicon Photonics
Huang, D., Pintus, P., Zhang, C., Shoji, Y., Mizumoto, T., & Bowers, J. (2016). Electrically Driven and Thermally Tunable Integrated Optical Isolators for Silicon Photonics. Ieee Journal Of Selected Topics In Quantum Electronics, 22, 4403408. https://doi.org/10.1109/JSTQE.2016.2588778 (Original work published 12/2016 C.E.)
Electrically Reconfigurable Metasurfaces Using Heterojunction Resonators
Iyer, P. P., Pendharkar, M., & Schuller, J. A. (2016). Electrically Reconfigurable Metasurfaces Using Heterojunction Resonators. Advanced Optical Materials. https://doi.org/10.1002/adom.201600297 (Original work published 07/2016 C.E.)
Electron and chemical reservoir corrections for point-defect formation energies
Freysoldt, C., Lange, B., Neugebauer, J., Yan, Q., Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2016). Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B, 93, 165206. https://doi.org/10.1103/PhysRevB.93.165206 (Original work published 04/2016 C.E.)
Electron counting and a large family of two-dimensional semiconductors
Miao, M. -S., Botana, J., Zurek, E., Hu, T., Liu, J., & Yang, W. (2016). Electron counting and a large family of two-dimensional semiconductors. Chemistry Of Materials, 28, 1994\textendash1999. https://doi.org/10.1021/acs.chemmater.5b03557 (Original work published 03/2016 C.E.)
Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles
Bechtel, J. S., Seshadri, R., & Van der Ven, A. (2016). Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal Of Physical Chemistry C, 120, 12403-12410. https://doi.org/10.1021/acs.jpcc.6b03570 (Original work published 06/2016 C.E.)
Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution
Agarwal, V., & Metiu, H. (2016). Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution. Journal Of Physical Chemistry C, 120, 2320-2323. https://doi.org/10.1021/acs.jpcc.5b12054 (Original work published 02/2016 C.E.)
Fddd network phase in ABA triblock copolymer melts
Li, W., Delaney, K. T., & Fredrickson, G. H. (2016). Fddd network phase in ABA triblock copolymer melts. Journal Of Polymer Science Part B: Polymer Physics, 54, 1112\textendash1117. https://doi.org/10.1002/polb.24022 (Original work published 03/2016 C.E.)
Genetic Algorithm for Discovery of Globally Stable Phases in Block Copolymers
Tsai, C. L., Delaney, K. T., & Fredrickson, G. H. (2016). Genetic Algorithm for Discovery of Globally Stable Phases in Block Copolymers. Macromolecules, 49, 6558\textendash6567. https://doi.org/10.1021/acs.macromol.6b01323 (Original work published 09/2016 C.E.)
High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2
Lamontagne, L. K., Laurita, G., Gaultois, M. W., Knight, M., Ghadbeigi, L., Sparks, T. D., et al. (2016). High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2. Chemistry Of Materials, 28, 3367-3373. https://doi.org/10.1021/acs.chemmater.6b00447 (Original work published 05/2016 C.E.)