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

2017

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.)
Frozen Gaussian Approximation-Based Artificial Boundary Conditions for One-Dimensional Nonlinear Schrödinger Equation in the Semiclassical Regime
Delgadillo, R., Yang, X., & Zhang, J. (2017). Frozen Gaussian Approximation-Based Artificial Boundary Conditions for One-Dimensional Nonlinear Schrödinger Equation in the Semiclassical Regime. Journal Of Scientific Computing, 1\textendash20. (Original work published 11/2017 C.E.)
Fundamental limits on the electron mobility of $\beta$-Ga2O3
Kang, Y., Krishnaswamy, K., Peelaers, H., & Van de Walle, C. G. (2017). Fundamental limits on the electron mobility of $\beta$-Ga2O3. Journal Of Physics: Condensed Matter, 29, 234001. https://doi.org/10.1088/1361-648X/aa6f66 (Original work published 05/2017 C.E.)
Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data
Shelton, E., Serwane, F., & As, O. C. \. (2017). Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data. Journal Of Microscopy, 269, 259\textendash268. (Original work published 09/2017 C.E.)
Highly functional ellipsoidal block copolymer nanoparticles: a generalized approach to nanostructured chemical ordering in phase separated colloidal particles
Schmidt, B. V. K. J., Wang, C. X., Kraemer, S., Connal, L. A., & Klinger, D. (2017). Highly functional ellipsoidal block copolymer nanoparticles: a generalized approach to nanostructured chemical ordering in phase separated colloidal particles. Polymer Chemistry. (Original work published 11/2017 C.E.)
Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units
Wang, M., Ford, M. J., Lill, A. T., Phan, H., Nguyen, T. -Q., & Bazan, G. C. (2017). Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units. Advanced Materials, 29. https://doi.org/10.1002/adma.201603830 (Original work published 01/2017 C.E.)
Hole polarons and p-type doping in boron nitride polymorphs
Weston, L., Wickramaratne, D., & Van de Walle, C. G. (2017). Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B, 96, 100102. (Original work published 09/2017 C.E.)