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

First-principles calculations of indirect Auger recombination in nitride semiconductors
Kioupakis, E., Steiauf, D., Rinke, P., Delaney, K. T., & Van de Walle, C. G. (2014). First-principles calculations of indirect Auger recombination in nitride semiconductors. Arxiv Preprint Arxiv:1412.7555.
First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se)
Krishnapriyan, A., Barton, P. T., Miao, M., & Seshadri, R. (2014). First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se). Journal Of Physics: Condensed Matter, 26, 155802.
First-principles study of high-field-related electronic behavior of group-III nitrides
Yan, Q., Kioupakis, E., Jena, D., & Van de Walle, C. G. (2014). First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B, 90, 121201.
First-principles study of the mobility of SrTiO 3
Himmetoglu, B., Janotti, A., Peelaers, H., Alkauskas, A., & Van de Walle, C. G. (2014). First-principles study of the mobility of SrTiO 3. Physical Review B, 90, 241204.
First-principles study of vacancy-assisted impurity diffusion in ZnO
Steiauf, D., Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2014). First-principles study of vacancy-assisted impurity diffusion in ZnO. Apl Materials, 2, 096101.
Flooding dynamics on the lower Amazon floodplain: 1. Hydraulic controls on water elevation, inundation extent, and river-floodplain discharge
Rudorff, C. M., Melack, J. M., & Bates, P. D. (2014). Flooding dynamics on the lower Amazon floodplain: 1. Hydraulic controls on water elevation, inundation extent, and river-floodplain discharge. Water Resources Research.
Flooding dynamics on the lower Amazon floodplain: 2. Seasonal and interannual hydrological variability
Rudorff, C. M., Melack, J. M., & Bates, P. D. (2014). Flooding dynamics on the lower Amazon floodplain: 2. Seasonal and interannual hydrological variability. Water Resources Research.
Fluctuating hydrodynamics of multicomponent membranes with embedded proteins
Camley, B. A., & Brown, F. L. H. (2014). Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal Of Chemical Physics, 141, 075103.
Generalized Kitaev Models and Slave Genons
Barkeshli, M., Jiang, H. -C., Thomale, R., & Qi, X. -L. (2014). Generalized Kitaev Models and Slave Genons. Arxiv Preprint Arxiv:1405.1780.
Genetic dissection of courtship song variation using the Drosophila Synthetic Population Resource
Pischedda, A., Cochrane, V. A., Cochrane, W. G., & Turner, T. L. (2014). Genetic dissection of courtship song variation using the Drosophila Synthetic Population Resource. 006643. https://doi.org/10.1101/006643
Genome-wide association of foraging behavior in Drosophila melanogaster fails to support large-effect alleles at the foraging gene
Turner, T., Giauque, C. C., Schrider, D. R., & Kern, A. D. (2014). Genome-wide association of foraging behavior in Drosophila melanogaster fails to support large-effect alleles at the foraging gene. 004325. https://doi.org/10.1101/004325
Global Distribution of Water Vapor and Cloud Cover\textemdashSites for High-Performance THz Applications
Suen, J. Y., Fang, M. T., & Lubin, P. M. (2014). Global Distribution of Water Vapor and Cloud Cover\textemdashSites for High-Performance THz Applications. Terahertz Science And Technology, Ieee Transactions On, 4, 86\textendash100.
High Pressure Electrides: A Predictive Chemical and Physical Theory
Miao, M. -S., & Hoffmann, R. (2014). High Pressure Electrides: A Predictive Chemical and Physical Theory. Accounts Of Chemical Research, 47, 1311\textendash1317.
How water layers on graphene affect folding and adsorption of TrpZip2
Peter, E. K., Agarwal, M., Kim, B., Pivkin, I., & Shea, J. -E. (2014). How water layers on graphene affect folding and adsorption of TrpZip2. The Journal Of Chemical Physics, 141, 22D511.
Hybrid functional calculations of D X centers in AlN and GaN
Gordon, L., Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2014). Hybrid functional calculations of D X centers in AlN and GaN. Physical Review B, 89, 085204.
Hybrid functional calculations of point defects and hydrogen in SrZrO 3
Weston, L., Janotti, A., Cui, X. Y., Stampfl, C., & Van de Walle, C. G. (2014). Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B, 89, 184109.
A hybrid MD-kMC algorithm for folding proteins in explicit solvent
Shea, J. -E., & Peter, E. K. (2014). A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.
Hydrodynamic interaction between a capsule and a solid boundary in unbounded Stokes flow
Keh, M. P., Walter, J., & Leal, L. G. (2014). Hydrodynamic interaction between a capsule and a solid boundary in unbounded Stokes flow. Physics Of Fluids (1994-Present), 26, 111903.
Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits
Gordon, L., Abu-Farsakh, H., Janotti, A., & Van de Walle, C. G. (2014). Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits. Scientific Reports, 4.
Hydrogen Passivation of Impurities in Al2O3
Choi, M., Janotti, A., & Van de Walle, C. G. (2014). Hydrogen Passivation of Impurities in Al2O3. Acs Applied Materials \& Interfaces, 6, 4149\textendash4153.