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

2014

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.

2013

[3, 3]-Sigmatropic Rearrangement versus Carbene Formation in Gold-Catalyzed Transformations of Alkynyl Aryl Sulfoxides: Mechanistic Studies and Expanded Reaction Scope
Lu, B., Li, Y., Wang, Y., Aue, D. H., Luo, Y., & Zhang, L. (2013). [3, 3]-Sigmatropic Rearrangement versus Carbene Formation in Gold-Catalyzed Transformations of Alkynyl Aryl Sulfoxides: Mechanistic Studies and Expanded Reaction Scope. Journal Of The American Chemical Society, 135, 8512\textendash8524.
Accuracy of topological entanglement entropy on finite cylinders
Jiang, H. -C., Singh, R. R. P., & Balents, L. (2013). Accuracy of topological entanglement entropy on finite cylinders. Physical Review Letters, 111, 107205.
Ambipolar doping in SnO
Varley, J. B., Schleife, A., Janotti, A., & Van de Walle, C. G. (2013). Ambipolar doping in SnO. Applied Physics Letters, 103, 082118.
Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale
Bezzola, A., Bales, B., Alkire, R. C., & Petzold, L. R. (2013). Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal Of Ecs, (in press). Retrieved de https://ecs.confex.com/ecs/223/webprogram/Paper15891.html
Block Copolymer Self Assembly during Rapid Solvent Evaporation: Insights into Cylinder Growth and Stability
Paradiso, S. P., Delaney, K. T., ia-Cervera, C. J. G. \ \, Ceniceros, H. D., & Fredrickson, G. H. (2013). Block Copolymer Self Assembly during Rapid Solvent Evaporation: Insights into Cylinder Growth and Stability. Acs Macro Letters, 3, 16\textendash20.