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

2013

A scaling relation for the capillary-pressure driven drainage of thin films
Frostad, J. M., Walter, J., & Leal, L. G. (2013). A scaling relation for the capillary-pressure driven drainage of thin films. Physics Of Fluids (1994-Present), 25, 052108.
Self-assembly in a mixed polymer brush with inhomogeneous grafting density composition
Hur, S. -M., Frischknecht, A. L., Huber, D. L., & Fredrickson, G. H. (2013). Self-assembly in a mixed polymer brush with inhomogeneous grafting density composition. Soft Matter, 9, 5341\textendash5354.
Self-Assembly of a Bipolar Model of Biomacromolecules
Li, W., Chakrabarti, A., & Gunton, J. D. (2013). Self-Assembly of a Bipolar Model of Biomacromolecules. Langmuir, 29, 4470. https://doi.org/http://dx.doi.org/10.1021/la4002994
Simulation of edge facilitated adsorption and critical concentration induced rupture of vesicles at a surface
Plunkett, P., Camley, B. A., Weirich, K. L., Israelachvili, J., & Atzberger, P. J. (2013). Simulation of edge facilitated adsorption and critical concentration induced rupture of vesicles at a surface. Soft Matter, 9, 8420\textendash8427.
Size-Dependent Surface Free Energy and Tolman-Corrected Droplet Nucleation of TIP4P/2005 Water
Joswiak, M. N., Duff, N., Doherty, M. F., & Peters, B. (2013). Size-Dependent Surface Free Energy and Tolman-Corrected Droplet Nucleation of TIP4P/2005 Water. The Journal Of Physical Chemistry Letters, 4, 4267-4272. https://doi.org/10.1021/jz402226p
On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs)
Miao, M., Brgoch, J., Krishnapriyan, A., Goldman, A., Kurzman, J. A., & Seshadri, R. (2013). On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic Chemistry, 52, 8183\textendash8189.
Striped, Ellipsoidal Particles by Controlled Assembly of Diblock Copolymers
Jang, S. G., Audus, D. J., Klinger, D., Krogstad, D. V., Kim, B. J., Cameron, A., et al. (2013). Striped, Ellipsoidal Particles by Controlled Assembly of Diblock Copolymers. Journal Of The American Chemical Society, 135(17), 6649.
Strong correlation induced charge localization in antiferromagnets
Zhu, Z., Jiang, H. -C., Qi, Y., Tian, C. -S., & Weng, Z. -Y. (2013). Strong correlation induced charge localization in antiferromagnets. Scientific Reports, 3. https://doi.org/10.1038/srep02586 (Original work published 09/2013 C.E.)
Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3
Lee, J. H., Delaney, K. T., Bousquet, E., Spaldin, N. A., & Rabe, K. M. (2013). Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3. Physical Review B, 88, 174426.
Structural origins of the properties of rare earth nickelate superlattices
Hwang, J., Son, J., Zhang, J. Y., Janotti, A., Van de Walle, C. G., & Stemmer, S. (2013). Structural origins of the properties of rare earth nickelate superlattices. Phys. Rev. B, 87(6), 60101.
Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides
Wu, C., & Shea, J. -E. (2013). Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. Plos Computational Biology, 9, e1003211.
A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells.
Guide, M., Pla, S., Sharenko, A., Zalar, P., azaro, F. F. \ andez-L. \, Sastre-Santos, A., & Nguyen, T. -Q. (2013). A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells. Physical Chemistry Chemical Physics, 15, 18894\textendash18899. https://doi.org/10.1039/c3cp53552e (Original work published oct)
Subspace Fluid Re-Simulation
Kim, T., & Delaney, J. (2013). Subspace Fluid Re-Simulation. Proceedings Of Acm Siggraph, (in press). Retrieved de http://www.mat.ucsb.edu/\%7Ekim/RESIM/KimDelaney2013.pdf
Symmetry lowering in extreme-electron-density perovskite quantum wells
Zhang, J. Y., Hwang, J., Raghavan, S., & Stemmer, S. (2013). Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical Review Letters, 110, 256401.
Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices
Kioupakis, E., Yan, Q., Steiauf, D., & Van de Walle, C. G. (2013). Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal Of Physics, 15, 125006.
Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2
Mishmash, R., Garrison, J. R., Bieri, S., & Xu, C. (2013). Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. Arxiv Preprint Arxiv:1307.0829.
Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions
Watson, M. C., Morriss-Andrews, A., Welch, P. M., & Brown, F. L. H. (2013). Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal Of Chemical Physics, 139, 084706.
Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3
Hwang, J., Zhang, J. Y., D\textquoterightAlfonso, A. J., Allen, L. J., & Stemmer, S. (2013). Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3. Physical Review Letters, 111, 266101.
Three-Dimensional Vorticity Configurations in Miscible Hele-Shaw Displacements
Oliveira, R. M., & Meiburg, E. (2013). Three-Dimensional Vorticity Configurations in Miscible Hele-Shaw Displacements. Procedia Iutam, 7, 203\textendash212. https://doi.org/10.1016/j.piutam.2013.03.024 (Original work published 01/2013 C.E.)
Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis
Ivanovskaya, A., Singh, N., Liu, R. -F., Kreutzer, H., Baltrusaitis, J., Van Nguyen, T., et al. (2013). Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir, 29, 480.