Selected Publications

2016

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.
Barriers to defect melting in chemo-epitaxial directed self-assembly of lamellar-forming diblock copolymer/homopolymer blends
Izumi, K., Kim, B. J., Laachi, N., Delaney, K. T., Carilli, M. F., & Fredrickson, G. H. (2015). Barriers to defect melting in chemo-epitaxial directed self-assembly of lamellar-forming diblock copolymer/homopolymer blends (D. J. Resnick & Bencher, C., Eds.). San Jose, CA: International Society for Optics and Photonics. https://doi.org/10.1117/12.2085685 (Original work published 03/2015 C.E.)
Beam engineering for selective and enhanced coupling to multipolar resonances
Das, T., Iyer, P. P., DeCrescent, R. A., & Schuller, J. A. (2015). Beam engineering for selective and enhanced coupling to multipolar resonances. Physical Review B, 92, 241110.
Behavioral variation in Drosophila melanogaster: no evidence for common alleles of large-effect at the foraging gene in a population from North Carolina, USA
Turner, T., Giauque, C. C., Schrider, D. R., & Kern, A. D. (2015). Behavioral variation in Drosophila melanogaster: no evidence for common alleles of large-effect at the foraging gene in a population from North Carolina, USA. 004325. https://doi.org/10.1101/004325
Brillouin zone and band structure of $\beta$-Ga2O3
Peelaers, H., & Van de Walle, C. G. (2015). Brillouin zone and band structure of $\beta$-Ga2O3. Physica Status Solidi (B), 252, 828\textendash832.
Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations
Dreyer, C. E., Janotti, A., & Van de Walle, C. G. (2015). Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations. Applied Physics Letters, 106, 212103.
Calculating Crop Water Requirement Satisfaction in the West Africa Sahel with Remotely Sensed Soil Moisture
McNally, A., Husak, G. J., Brown, M., Carroll, M., Funk, C., Yatheendradas, S., et al. (2015). Calculating Crop Water Requirement Satisfaction in the West Africa Sahel with Remotely Sensed Soil Moisture. Journal Of Hydrometeorology.