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

2015

Energy Transfer Directly to Bilayer Interfaces to Improve Exciton Collection in Organic Photovoltaics
Eisenmenger, N. D., Delaney, K. T., Ganesan, V., Fredrickson, G. H., & Chabinyc, M. L. (2015). Energy Transfer Directly to Bilayer Interfaces to Improve Exciton Collection in Organic Photovoltaics. Journal Of Physical Chemistry C, 119, 19011\textendash19021. https://doi.org/10.1021/acs.jpcc.5b05749 (Original work published 08/2015 C.E.)
Entropic (de) stabilization of surface-bound peptides conjugated with polymers
Carmichael, S. P., & Shell, S. (2015). Entropic (de) stabilization of surface-bound peptides conjugated with polymers. The Journal Of Chemical Physics, 143, 243103.
Evolutionary relatedness does not predict competition and co-occurrence in natural or experimental communities of green algae
Alexandrou, M. A., Cardinale, B. J., Hall, J. D., Delwiche, C. F., Fritschie, K., Narwani, A., et al. (2015). Evolutionary relatedness does not predict competition and co-occurrence in natural or experimental communities of green algae. Proceedings Of The Royal Society B: Biological Sciences, 282. https://doi.org/10.1098/rspb.2014.1745
Exotic quantum phase transitions of strongly interacting topological insulators
Slagle, K., You, Y. -Z., & Xu, C. (2015). Exotic quantum phase transitions of strongly interacting topological insulators. Physical Review B, 91, 115121.
Extracting enzyme processivity from kinetic assays
Barel, I., Reich, N. O., & Brown, F. L. H. (2015). Extracting enzyme processivity from kinetic assays. Journal Of Chemical Physics, 143, 224115. https://doi.org/10.1063/1.4937155 (Original work published 12/2015 C.E.)
Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries
Chang, D., Chen, M. -H., & Van der Ven, A. (2015). Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries. Chemistry Of Materials, 27, 7593\textendash7600.
First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures
Krishnaswamy, K., Dreyer, C. E., Janotti, A., & Van de Walle, C. G. (2015). First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B, 92, 085420.
First-principles theory of acceptors in nitride semiconductors
Lyons, J. L., Alkauskas, A., Janotti, A., & Van de Walle, C. G. (2015). First-principles theory of acceptors in nitride semiconductors. Physica Status Solidi (B), 252, 900\textendash908.
Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2
Peelaers, H., Kioupakis, E., & Van de Walle, C. G. (2015). Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B, 92, 235201.
Gauge-invariant frozen Gaussian approximation method for the Schrödinger equation with periodic potentials
Delgadillo, R., Lu, J., & Yang, X. (2015). Gauge-invariant frozen Gaussian approximation method for the Schrödinger equation with periodic potentials. Retrieved de http://arxiv.org/abs/1509.05552 (Original work published 09/2015 C.E.)
Generalized Kitaev Models and Extrinsic Non-Abelian Twist Defects
Barkeshli, M., Jiang, H. -C., Thomale, R., & Qi, X. -L. (2015). Generalized Kitaev Models and Extrinsic Non-Abelian Twist Defects. Physical Review Letters, 114, 026401.
GPU-based simulations of fracture in idealized brick and mortar composites
Pro, W., Lim, R. K., Petzold, L. R., Utz, M., & Begley, M. R. (2015). GPU-based simulations of fracture in idealized brick and mortar composites. Journal Of The Mechanics And Physics Of Solids, 80, 68\textendash85.
Herniated Hash Tables: Exploiting Multi-Level Phase Change Memory for In-Place Data Expansion
Deng, Z., Zhang, L., Franklin, D., & Chong, F. T. (2015). Herniated Hash Tables: Exploiting Multi-Level Phase Change Memory for In-Place Data Expansion. Presented at the. ACM.
High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms
Miao, M. -S., & Hoffmann, R. (2015). High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms. Journal Of The American Chemical Society, 137, 3631\textendash3637.
High-temperature stability of $δ$ -ZrO
Chen, M. -H., Puchala, B., & Van der Ven, A. (2015). High-temperature stability of $δ$ -ZrO. Calphad, 51, 292\textendash298.
Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics
Petsev, N. D., Leal, G., & Shell, S. (2015). Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics. The Journal Of Chemical Physics, 142, 044101.
Hybrid optical antennas with photonic resistors
Butakov, N. A., & Schuller, J. A. (2015). Hybrid optical antennas with photonic resistors. Optics Express, 23, 29698. https://doi.org/10.1364/OE.23.029698 (Original work published nov)
Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and $\alpha$-Quartz Doped with Al, Sc, B, or Ga
Agarwal, V., & Metiu, H. (2015). Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and $\alpha$-Quartz Doped with Al, Sc, B, or Ga. The Journal Of Physical Chemistry C, 119, 16106\textendash16114.
Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid\textendashBase Interactions
etien, S. C. \, & Metiu, H. (2015). Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid\textendashBase Interactions. The Journal Of Physical Chemistry C.
Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides
Peelaers, H., Krishnaswamy, K., Gordon, L., Steiauf, D., Sarwe, A., Janotti, A., & Van de Walle, C. G. (2015). Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters, 107, 183505.