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Journal Article

Alexander GCB, Fabini DH, Seshadri R, Kanatzidis MG. 2018. AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor. Inorganic chemistry.

Denault KA, Brgoch J, Kloß SD, Gaultois MW, Siewenie J, Page K, Seshadri R. 2015. Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts. ACS applied materials & interfaces. 7:7264–7272.

Janotti A, Bjaalie L, Himmetoglu B, Van de Walle CG. 2014. Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.

Dreyer CE, Lyons JL, Janotti A, Van de Walle CG. 2014. Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.

Adamski NL, Wickramaratne D, Van de Walle CG. 2020. Band alignments and polarization properties of the Zn-IV-nitrides. Journal of Materials Chemistry C.

Bjaalie L, Azcatl A, McDonnell S, Freeze CR, Stemmer S, Wallace RM, Van de Walle CG. 2016. Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.

Moses PGeorg, Van de Walle CG. 2010. Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.

Yan Q, Rinke P, Winkelnkemper M, Qteish A, Bimberg D, Scheffler M, Van de Walle CG. 2011. Band parameters and strain effects in ZnO and group-III nitrides. Semicond. Sci. Technol.. 26:14037.

Wang H, Zhou T. 2019. Barrier from chaos: operator entanglement dynamics of the reduced density matrix. Journal of High Energy Physics. 2019:20.

Krishnaswamy K, Bjaalie L, Himmetoglu B, Janotti A, Gordon L, Van de Walle CG. 2016. BaSnO3 as a channel material in perovskite oxide heterostructures. Applied Physics Letters. 108(8):083501.

Bales B, Petzold L, Goodlet BR, Lenthe WC, Pollock TM. 2018. Bayesian inference of elastic properties with resonant ultrasound spectroscopy. The Journal of the Acoustical Society of America. 143:71–83.

Das T, Iyer PP, DeCrescent RA, Schuller JA. 2015. Beam engineering for selective and enhanced coupling to multipolar resonances. Physical Review B. 92:241110.

Souza MLima, DeMartino AW, Ford PC. 2017. Biological Thiols and Carbon Disulfide: The Formation and Decay of Trithiocarbonates under Physiologically Relevant Conditions. ACS Omega. 2:6535–6543.

Paradiso SP, Delaney KT, García-Cervera CJ, Ceniceros HD, Fredrickson GH. 2013. Block Copolymer Self Assembly during Rapid Solvent Evaporation: Insights into Cylinder Growth and Stability. ACS Macro Letters. 3:16–20.

Griffy B. 2017. Borrowing Constraints, Search, and Life-Cycle Inequality.

Peelaers H, Van de Walle CG. 2015. Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.

Dreyer CE, Janotti A, Van de Walle CG. 2015. Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations. Applied Physics Letters. 106:212103.

Alabduljalil M., Tang X., Yang T.. 2013. Cache-Conscious Performance Optimization for Similarity Search. SIGIR’2013 (Proc. of 36th ACM SIGIR conference on Research and Development in Information Retrieval). (in press)

Miao M-S. 2013. Caesium in high oxidation states and as a p-block element. Nature chemistry. 5:846–852.

McNally A, Husak GJ, Brown M, Carroll M, Funk C, Yatheendradas S, Arsenault K, Peters-Lidard C, Verdin JP. 2015. Calculating Crop Water Requirement Satisfaction in the West Africa Sahel with Remotely Sensed Soil Moisture. Journal of Hydrometeorology.

Fabini DH, Koerner M, Seshadri R. 2019. Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies. Chemistry of Materials.

Evans HA, Andrews JL, Fabini DH, Preefer MB, Wu G, Cheetham AK, Wudl F, Seshadri R. 2019. The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(IV) compounds. Chemical Communications. 55(5):588-591.

Lyons JL, Steiauf D, Janotti A, Van de Walle CG. 2014. Carbon as a Shallow Donor in Transparent Conducting Oxides. Physical Review Applied. 2:064005.

Lyons J.L, Janotti A., Van de Walle C.G. 2010. Carbon impurities and the yellow luminescence in GaN. Appl. Phys. Lett.. 97:152108.

Limpijumnong S., Reunchan P., Janotti A., Van de Walle C.G. 2008. Carbon-nitrogen molecules in GaAs and GaP. Phys. Rev. B. 77:195209.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

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 1720256) at UC Santa Barbara.