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Huang C, Kristoffersen HH, Gong X-Q, Metiu H. 2016. Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes. Journal of Physical Chemistry C. 120(9):4931–4936.

Corr SA, Shoemaker DP, Melot BC, Seshadri R. 2010. Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO{\_}2. Physical Review Letters. 105:056404.

Delaney KT, Fredrickson GH. 2016. Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions. Journal of Physical Chemistry B. 120(31):7615-7634.

Iyer PP, Butakov NA, Schuller JA. 2015. Reconfigurable Semiconductor Phased-Array Metasurfaces. ACS Photonics.

Kristoffersen HH, Metiu H. 2015. Reconstruction of Low-Index $\alpha$-V2O5 Surfaces. The Journal of Physical Chemistry C.

Mikhnenko OV, Collins SD, Nguyen T-Q. 2015. Rectifying Electrical Noise with an Ionic-Organic Ratchet. Advanced Materials. 27:2007–2012.

Goiri J.G, Van der Ven A.. 2018. Recursive alloy Hamiltonian construction and its application to the Ni-Al-Cr system. Acta Materialia.

Umezawa N., Sato M., Shiraishi K.. 2008. Reduction in charged defects associated with oxygen vacancies in hafnia by magnesium incorporation: First-principles study. Appl. Phys. Lett.. 93:223104.

Baird B, Cieslak M, Smallwood J, Grafton ST, Schooler JW. 2014. Regional White Matter Variation Associated with Domain-specific Metacognitive Accuracy.

Levine ZA, Larini L, LaPointe NE, Feinstein SC, Shea J-E. 2015. Regulation and aggregation of intrinsically disordered peptides. Proceedings of the National Academy of Sciences. 112:2758–2763.

Vannozzi C. 2012. Relaxation and coalescence of two equal-sized viscous drops in a quiescent matrix. J. Fluid Mech.. 694:408.

Takacs CJ, Treat ND, Krämer S, Chen Z, Facchetti A, Chabinyc ML, Heeger AJ. 2013. Remarkable Order of a High-Performance Polymer. Nano Letters. 13(6):2522–2527.

Kamei T, Kamikawa T, Araki M, DenBaars SP, Nakamura S, Bowers JE. 2020. Research Toward a Heterogeneously Integrated InGaN Laser on Silicon. physica status solidi (a). 217:1900770.

Bradley D, Conklin E, Papastamatiou YP, McCauley DJ, Pollock K, Pollock A, Kendall BE, Gaines SD, Caselle JE. 2017. Resetting predator baselines in coral reef ecosystems. Scientific Reports. 7

Shoemaker DP, Llobet A, Tachibana M, Seshadri R. 2011. Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.

Cogley T, Startz R. 2012. Robust Estimation of ARMA Models with Near Root Cancellation. submitted.

Umezawa N, Ye J. 2012. Role of complex defects in photocatalytic activities of nitrogen-doped anatase TiO(2).. Physical Chemistry Chemical Physics. 14:5924–34.

Klemenz S, Hay AK, Teicher SML, Topp A, Cano J, Schoop LM. 2020. The role of delocalized chemical bonding in square-net-based topological semimetals. Journal of the American Chemical Society.

Van de Walle C.G., Weber J.R., Janotti A.. 2008. Role of hydrogen at germanium/dielectric interfaces. Thin Solid Films. Volume 517, Issue 1, Fifth International Conference on Silicon Epitaxy and Heterostructures (ICSI-5):144-147.

Yan Q, Janotti A, Scheffler M, de Walle V, G C. 2012. Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters. 100:142110.

Wang W, Janotti A, Van de Walle CG. 2016. Role of oxygen vacancies in crystalline WO 3. Journal of Materials Chemistry C.

Janotti A., Van de Walle C.G.. 2011. The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2. Microelectronic Engineering. 88(7):1452-1456.

Varley J.B, Janotti A., Franchini C., Van de Walle C.G. 2012. Role of self-trapping in luminescence and p-type conductivity of wide-band-gap oxides. Phys. Rev. B. 85:81109.

Lyons J.L, Janotti A., Van de Walle C.G. 2009. Role of Si and Ge as impurities in ZnO. Phys. Rev. B. 80:205113.

Yan Q, Rinke P, Scheffler M, Van de Walle CG. 2010. Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Appl. Phys. Lett.. 97:181102.

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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.