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

Small polaron-related recombination in BaxSr1- xTiO3 thin films by cathodoluminescence spectroscopy
Hauser, A. J., Mikheev, E., Kajdos, A. P., & Janotti, A. (2016). Small polaron-related recombination in BaxSr1- xTiO3 thin films by cathodoluminescence spectroscopy. Applied Physics Letters, 108, 102901. https://doi.org/10.1063/1.4943191 (Original work published 03/2016 C.E.)
Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals
Radin, M. D., & Van der Ven, A. (2016). Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry Of Materials, 28, 7898\textendash7904. https://doi.org/10.1021/acs.chemmater.6b03454 (Original work published 11/2016 C.E.)
Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals
Radin, M. D., & Van der Ven, A. (2016). Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry Of Materials, 28, 7898\textendash7904. https://doi.org/10.1021/acs.chemmater.6b03454 (Original work published 10/2016 C.E.)
Stacking-sequence changes and Na ordering in layered intercalation materials
Vinckeviciute, J., Radin, M. D., & Van der Ven, A. (2016). Stacking-sequence changes and Na ordering in layered intercalation materials. Chemistry Of Materials, 28, 8640\textendash8650. https://doi.org/10.1021/acs.chemmater.6b03609 (Original work published 11/2016 C.E.)
Statistical field theory description of inhomogeneous polarizable soft matter
Martin, J. M., Li, W., Delaney, K. T., & Fredrickson, G. H. (2016). Statistical field theory description of inhomogeneous polarizable soft matter. Journal Of Chemical Physics, 145, 154104. https://doi.org/10.1063/1.4964680 (Original work published 10/2016 C.E.)
Structure and Oxidizing Power of Single Layer $\alpha$-V2O5
Kristoffersen, H. H., & Metiu, H. (2016). Structure and Oxidizing Power of Single Layer $\alpha$-V2O5. Topics In Catalysis, 59, 809\textendash816. https://doi.org/10.1007/s11244-016-0553-7 (Original work published 05/2016 C.E.)
Structure of V2O5\textperiodcentered n H2O Xerogels
Kristoffersen, H. H., & Metiu, H. (2016). Structure of V2O5\textperiodcentered n H2O Xerogels. The Journal Of Physical Chemistry C, 120, 3986\textendash3992. https://doi.org/10.1021/acs.jpcc.5b12418 (Original work published 02/2016 C.E.)
Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces
Levine, Z. A., Rapp, M., Wei, W., Mullen, R. G., Wu, C., Zerze, G. H., et al. (2016). Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces. Proceedings Of The National Academy Of Sciences, 201603065. https://doi.org/10.1073/pnas.1603065113 (Original work published 04/2016 C.E.)
Surprising stability of neutral interstitial hydrogen in diamond and cubic BN
Lyons, J. L., & Van de Walle, C. G. (2016). Surprising stability of neutral interstitial hydrogen in diamond and cubic BN. Journal Of Physics: Condensed Matter, 28, 06LT01. https://doi.org/10.1088/0953-8984/28/6/06LT01 (Original work published 02/2016 C.E.)
A transcriptome resource for the Antarctic pteropod Limacina helicina antarctica
Johnson, K. M., & Hofmann, G. E. (2016). A transcriptome resource for the Antarctic pteropod Limacina helicina antarctica. Marine Genomics, 28, 25-28. https://doi.org/10.1016/j.margen.2016.04.002 (Original work published 08/2016 C.E.)
Transport properties of KTaO3 from first-principles
Himmetoglu, B., & Janotti, A. (2016). Transport properties of KTaO3 from first-principles. Journal Of Physics: Condensed Matter, 28, 065502. https://doi.org/10.1088/0953-8984/28/6/065502 (Original work published 02/2016 C.E.)
Tree based machine learning framework for predicting ground state energies of molecules
Himmetoglu, B. (2016). Tree based machine learning framework for predicting ground state energies of molecules. Journal Of Chemical Physics, 145, 9. https://doi.org/10.1063/1.4964093 (Original work published 10/2016 C.E.)
(TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures
Evans, H. A., Lehner, A. J., Labram, J. G., Fabini, D. H., Barreda, O., Smock, S. R., et al. (2016). (TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures. Chemistry Of Materials, 28, 3607-3611. https://doi.org/10.1021/acs.chemmater.6b00633 (Original work published 05/2016 C.E.)
Uncertainty in carbon allocation strategy and ecophysiological parameterization influences on carbon and streamflow estimates for two western US forested watersheds
Garcia, E. S., Tague, C. L., & Choate, J. S. (2016). Uncertainty in carbon allocation strategy and ecophysiological parameterization influences on carbon and streamflow estimates for two western US forested watersheds. Ecological Modelling, 342, 19-33. https://doi.org/10.1016/j.ecolmodel.2016.09.021 (Original work published 12/2016 C.E.)
On variational arguments for vibrational modes near jamming
Yan, L., DeGiuli, E., & Wyart, M. (2016). On variational arguments for vibrational modes near jamming. Epl (Europhysics Letters), 114, 26003. https://doi.org/10.1209/0295-5075/114/26003 (Original work published 05/2016 C.E.)
Widely tunable infrared semiconductor Mie resonators
Lewi, T., Iyer, P. P., Butakov, N. A., Mikhailovsky, A. A., & Schuller, J. A. (2016). Widely tunable infrared semiconductor Mie resonators. Presented at the. San Diego, CA: SPIE. https://doi.org/10.1117/12.2237905 (Original work published 11/2016 C.E.)

2015

Advantages and limitations of density functional theory in block copolymer directed self-assembly
Liu, J., Laachi, N., Delaney, K. T., & Fredrickson, G. H. (2015). Advantages and limitations of density functional theory in block copolymer directed self-assembly. https://doi.org/10.1117/12.2085666
Anharmonicity and phase stability of antiperovskite Li 3 OCl
Chen, M. -H., Emly, A., & Van der Ven, A. (2015). Anharmonicity and phase stability of antiperovskite Li 3 OCl. Physical Review B, 91, 214306.
Anionic Chemistry of Noble Gases: Formation of Mg\textendashNG (NG= Xe, Kr, Ar) Compounds under Pressure
Miao, M. -S., Wang, X. -li, Brgoch, J., Spera, F., Jackson, M. G., Kresse, G., & Lin, H. -qing. (2015). Anionic Chemistry of Noble Gases: Formation of Mg\textendashNG (NG= Xe, Kr, Ar) Compounds under Pressure. Journal Of The American Chemical Society, 137, 14122\textendash14128.
Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts
Denault, K. A., Brgoch, J., Kloß, S. D., Gaultois, M. W., Siewenie, J., Page, K., & Seshadri, R. (2015). Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts. Acs Applied Materials \& Interfaces, 7, 7264\textendash7272.