Selected Publications

2016

Quantum Monte Carlo simulations of tunneling in quantum adiabatic optimization
Brady, L. T., & van Dam, W. (2016). Quantum Monte Carlo simulations of tunneling in quantum adiabatic optimization. Physical Review A, 93, 032304. https://doi.org/10.1103/PhysRevA.93.032304 (Original work published 03/2016 C.E.)
Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes
Huang, C., Kristoffersen, H. H., Gong, X. -Q., & Metiu, H. (2016). Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes. Journal Of Physical Chemistry C, 120, 4931\textendash4936. https://doi.org/10.1021/acs.jpcc.5b12336 (Original work published 03/2016 C.E.)
Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions
Delaney, K. T., & Fredrickson, G. H. (2016). Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions. Journal Of Physical Chemistry B, 120, 7615-7634. https://doi.org/10.1021/acs.jpcb.6b05704 (Original work published 08/2016 C.E.)
Role of oxygen vacancies in crystalline WO 3
Wang, W., Janotti, A., & Van de Walle, C. G. (2016). Role of oxygen vacancies in crystalline WO 3. Journal Of Materials Chemistry C. https://doi.org/10.1039/C6TC01643J (Original work published 06/2016 C.E.)
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.)