Selected Publications

2014

Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5
Misch, L. M., Brgoch, J., Birkel, A., Mates, T. E., Stucky, G. D., & Seshadri, R. (2014). Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic Chemistry.
Regional White Matter Variation Associated with Domain-specific Metacognitive Accuracy
Baird, B., Cieslak, M., Smallwood, J., Grafton, S. T., & Schooler, J. W. (2014). Regional White Matter Variation Associated with Domain-specific Metacognitive Accuracy.
Salting out the polar polymorph: Analysis by alchemical solvent transformation
Duff, N., Dahal, Y. R., Schmit, J. D., & Peters, B. (2014). Salting out the polar polymorph: Analysis by alchemical solvent transformation. Journal Of Chemical Physics, 140, 014501. https://doi.org/10.1063/1.4853775 (Original work published 01/2014 C.E.)
Self-consistent field theory investigation of directed self-assembly in cylindrical confinement
Laachi, N., Delaney, K. T., Kim, B., Hur, S. -M., Bristol, R., Shykind, D., et al. (2014). Self-consistent field theory investigation of directed self-assembly in cylindrical confinement. Journal Of Polymer Science Part B: Polymer Physics.
Shear-Dominated Plastic Behavior of a Cross-ply Dyneema\textregistered Composite
Nazarian, O., & Zok, F. W. (2014). Shear-Dominated Plastic Behavior of a Cross-ply Dyneema\textregistered Composite. Composites Part A: Applied Science And Manufacturing.
Silicon carbide photonic crystal cavities with integrated color centers
Calusine, G., Politi, A., & Awschalom, D. D. (2014). Silicon carbide photonic crystal cavities with integrated color centers. Applied Physics Letters, 105, -. https://doi.org/http://dx.doi.org/10.1063/1.4890083
Simulating Articulated Subspace Self-Contact
Teng, Y., Otaduy, M. A., Madrid, U. R. J. C., & Kim, T. (2014). Simulating Articulated Subspace Self-Contact. Siggraph 2014. Retrieved de http://www.mat.ucsb.edu/~kim/SASS/TengOtaduyKim2014.pdf http://youtu.be/mjT9ZfIYN-s
Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models
Morriss-Andrews, A., & Shea, J. -E. (2014). Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal Of Physical Chemistry Letters.
Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties
Zheng, Y., Miao, M. -S., Zhang, Y., Nguyen, T. -Q., & Wudl, F. (2014). Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal Of The American Chemical Society.
Structure and energetics of LaAlO 3 (001) surfaces
Krishnaswamy, K., Dreyer, C. E., Janotti, A., & Van de Walle, C. G. (2014). Structure and energetics of LaAlO 3 (001) surfaces. Physical Review B, 90, 235436.
Thermodynamic and kinetic aspects of defectivity in directed self-assembly of cylinder-forming diblock copolymers in laterally confining thin channels
Kim, B. J., Laachi, N., Delaney, K. T., Carilli, M. F., Kramer, E. J., & Fredrickson, G. H. (2014). Thermodynamic and kinetic aspects of defectivity in directed self-assembly of cylinder-forming diblock copolymers in laterally confining thin channels. Journal Of Applied Polymer Science, 131, 40790. https://doi.org/10.1002/app.40790 (Original work published 12/2014 C.E.)
The Time Dependent Propensity Function for Acceleration of Spatial Stochastic Simulation of Reaction-Diffusion Systems
Fu, J., Wu, S., Li, H., & Petzold, L. R. (2014). The Time Dependent Propensity Function for Acceleration of Spatial Stochastic Simulation of Reaction-Diffusion Systems. Journal Of Computational Physics.
Topological Phase Transition in the Hofstadter-Hubbard Model
Wang, L., Hung, H. -H., & Troyer, M. (2014). Topological Phase Transition in the Hofstadter-Hubbard Model. Arxiv Preprint Arxiv:1402.6704.
Towards Virtual Testing of Textile Composites: Calibration of Thermoelastic Tow Properties
Shaw, J. H., Rajan, V. P., Blacklock, M., & Zok, F. W. (2014). Towards Virtual Testing of Textile Composites: Calibration of Thermoelastic Tow Properties. Journal Of The American Ceramic Society, 97, 1209\textendash1217.
Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation
Mullen, R. G., Shea, J. -E., & Peters, B. (2014). Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal Of Chemical Theory And Computation.
Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain
Sun, K., Chiu, C. -K., Hung, H. -H., & Wu, J. (2014). Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain. Phys. Rev. B, 89, 104519. https://doi.org/10.1103/PhysRevB.89.104519 (Original work published Mar)
Turning SrTiO 3 into a Mott insulator
Bjaalie, L., Janotti, A., Himmetoglu, B., & Van de Walle, C. G. (2014). Turning SrTiO 3 into a Mott insulator. Physical Review B, 90, 195117.
Uncertainty, self-selection and the design of subsidies: Evidence from Zambia
Bell, S., Jack, K., Oliva, P., Severen, C., & Walker, E. (2014). Uncertainty, self-selection and the design of subsidies: Evidence from Zambia.
Using phylogenetically-informed annotation (PIA) to search for light-interacting genes in transcriptomes from non-model organisms
Speiser, D. I., Pankey, S., Zaharoff, A. K., Battelle, B. A., Bracken-Grissom, H. D., Breinholt, J. W., et al. (2014). Using phylogenetically-informed annotation (PIA) to search for light-interacting genes in transcriptomes from non-model organisms. Bmc Bioinformatics, 15, 350.
Vacancies and small polarons in SrTiO 3
Janotti, A., Varley, J. B., Choi, M., & Van de Walle, C. G. (2014). Vacancies and small polarons in SrTiO 3. Physical Review B, 90, 085202.