Publications

CSC research acknowledged in publications and presentations.

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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

2017

A cohort of new adhesive proteins identified from transcriptomic analysis of mussel foot glands
DeMartini, D. G., Errico, J. M., Sjoestroem, S., Fenster, A., & Waite, H. (2017). A cohort of new adhesive proteins identified from transcriptomic analysis of mussel foot glands. Journal Of The Royal Society Interface, 14, 20170151. https://doi.org/10.1098/rsif.2017.0151 (Original work published 06/2017 C.E.)
Colorful seashells: Identification of haem pathway genes associated with the synthesis of porphyrin shell color in marine snails
Williams, S. T., Lockyer, A. E., Dyal, P., Nakano, T., Churchill, C. K. C., & Speiser, D. I. (2017). Colorful seashells: Identification of haem pathway genes associated with the synthesis of porphyrin shell color in marine snails. Ecology And Evolution, 7, 10379\textendash10397. (Original work published 10/2017 C.E.)
Computationally predicted energies and properties of defects in GaN
Lyons, J. L., & Van de Walle, C. G. (2017). Computationally predicted energies and properties of defects in GaN. Npj Computational Materials, 3, 1. https://doi.org/10.1038/s41524-017-0014-2 (Original work published 03/2017 C.E.)
Controlling n-Type Doping in MoO3
Peelaers, H., Chabinyc, M. L., & Van de Walle, C. G. (2017). Controlling n-Type Doping in MoO3. Chemistry Of Materials, 29, 2563\textendash2567. https://doi.org/10.1021/acs.chemmater.6b04479 (Original work published 02/2017 C.E.)
Convection Affects Magnetic Turbulence in White Dwarf Accretion Disks
Coleman, M. S. B. (2017). Convection Affects Magnetic Turbulence in White Dwarf Accretion Disks. (Original work published 06/2017 C.E.)
Convective quenching of field reversals in accretion disc dynamos
Coleman, M. S. B., Yerger, E., Blaes, O., Salvesen, G., & Hirose, S. (2017). Convective quenching of field reversals in accretion disc dynamos. Monthly Notices Of The Royal Astronomical Society, 467, 2625\textendash2635. https://doi.org/10.1093/mnras/stx268 (Original work published 02/2017 C.E.)
Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams
Das, T., & Schuller, J. A. (2017). Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams. Physical Review B, 95, 201111. https://doi.org/10.1103/PhysRevB.95.201111 (Original work published 05/2017 C.E.)
Deep donor state of the copper acceptor as a source of green luminescence in ZnO
Lyons, J. L., Alkauskas, A., Janotti, A., & Van de Walle, C. G. (2017). Deep donor state of the copper acceptor as a source of green luminescence in ZnO. Applied Physics Letters, 111, 042101. https://doi.org/10.1063/1.4995404 (Original work published 07/2017 C.E.)
Dynamically reconfigurable integrated optical circulators
Huang, D., Pintus, P., Zhang, C., Morton, P., Shoji, Y., Mizumoto, T., & Bowers, J. E. (2017). Dynamically reconfigurable integrated optical circulators. Optica, 4, 23\textendash30. https://doi.org/10.1364/OPTICA.4.000023 (Original work published 01/2017 C.E.)
Edge mode amplification in disordered elastic networks
Yan, L., Bouchaud, J. -P., & Wyart, M. (2017). Edge mode amplification in disordered elastic networks. Soft Matter, 13, 5795\textendash5801. (Original work published 07/2017 C.E.)
Electrical compensation mechanism in fluorine-doped SnO2
Kang, Y., & Van de Walle, C. G. (2017). Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters, 111, 152107. (Original work published 10/2017 C.E.)
Electronic and protonic conduction in LaFeO 3
Zhu, Z., Peelaers, H., & Van de Walle, C. G. (2017). Electronic and protonic conduction in LaFeO 3. Journal Of Materials Chemistry A. https://doi.org/10.1039/C7TA04330A (Original work published 07/2017 C.E.)
Excited State Dynamics of 6-Thioguanine
Siouri, F. M., Boldissar, S., Berenbeim, J., & De Vries, M. S. (2017). Excited State Dynamics of 6-Thioguanine. The Journal Of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.7b03036 (Original work published 06/2017 C.E.)
Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics
Berenbeim, J. A., Boldissar, S., Siouri, F. M., Gate, G., Haggmark, M. R., Aboulache, B., et al. (2017). Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics. The Journal Of Physical Chemistry Letters, 8, 5184\textendash5189. (Original work published 10/2017 C.E.)
The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials
Thomas, J. C., & Van der Ven, A. (2017). The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials. Journal Of The Mechanics And Physics Of Solids, 107, 76\textendash95. https://doi.org/10.1016/j.jmps.2017.06.009 (Original work published 10/2017 C.E.)
A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration
Kirchhofer, N. D., Rengert, Z. D., Dahlquist, F. W., Nguyen, T. -Q., & Bazan, G. C. (2017). A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem, 2, 240\textendash257. https://doi.org/10.1016/j.chempr.2017.01.001 (Original work published 02/2017 C.E.)
First-principles analysis of electron transport in BaSnO 3
Krishnaswamy, K., Himmetoglu, B., Kang, Y., Janotti, A., & Van de Walle, C. G. (2017). First-principles analysis of electron transport in BaSnO 3. Physical Review B, 95, 205202. https://doi.org/10.1103/PhysRevB.95.205202 (Original work published 05/2017 C.E.)
First-principles characterization of native-defect-related optical transitions in ZnO
Lyons, J. L., Varley, J. B., Steiauf, D., Janotti, A., & Van de Walle, C. G. (2017). First-principles characterization of native-defect-related optical transitions in ZnO. Journal Of Applied Physics, 122, 035704. https://doi.org/10.1063/1.4992128 (Original work published 07/2017 C.E.)
First-principles investigation of phase stability in the Mg-Sc binary alloy
Natarajan, A. R., & Van der Ven, A. (2017). First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B, 95, 214107. https://doi.org/10.1103/PhysRevB.95.214107 (Original work published 06/2017 C.E.)
First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers
Su, G. M., Patel, S. N., Pemmaraju, C. D., Prendergast, D., & Chabinyc, M. L. (2017). First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal Of Physical Chemistry C, 121, 9142\textendash9152. https://doi.org/10.1021/acs.jpcc.7b01353 (Original work published 04/2017 C.E.)