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Varley J.B, Janotti A., Van de Walle C.G. 2011. Mechanism of Visible-Light Photocatalysis in Nitrogen-Doped TiO2. Advanced Materials. 23:2343-2347.

Hoang K., Janotti A., Van de Walle C.G. 2012. Mechanisms for the decomposition and dehydrogenation of Li amide/imide. Phys. Rev. B. 85:64115.

Li Y, Kamousi P, Han F, Yang S, Yan X, Suri S. 2013. Memory Efficient Minimum Substring Partitioning. Proc. of the 39th International Conference on Very Large Databases. Aug

Henske JK, Wilken SElmo, Solomon KV, Smallwood CR, Shutthanandan V, Evans JE, Theodorou MK, O'Malley MA. 2018. Metabolic characterization of anaerobic fungi provides a path forward for bioprocessing of crude lignocellulose. Biotechnology and bioengineering.

Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG. 2016. Metal versus insulator behavior in ultrathin SrTiO 3-based heterostructures. Physical Review B. 94(3):035115(6).

Schmidt BVKJ, Elbert J, Scheid D, Hawker CJ, Klinger D, Gallei M. 2015. Metallopolymer-Based Shape Anisotropic Nanoparticles. ACS Macro Letters. 4:731–735.

Khatami Y., Li H., Xu C., Banerjee K.. 2012. Metal-to-Multilayer-Graphene Contact - Part II: Analysis of Contact Resistance,. IEEE Transactions on Electron Devices. 59:2453-2460.

alap-Ayça SŞ, Jankowski P, Clarke KC, Kyriakidis PC, Nara A. 2017. A meta-modeling approach for spatio-temporal uncertainty and sensitivity analysis: an application for a cellular automata-based Urban growth and land-use change model. International Journal of Geographical Information Science. 32:637–662.

Sun XY, Li B, Metiu H. 2013. Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO (001). The Journal of Physical Chemistry C. 117:7114–7122.

Derk AR, Li B, Sharma S, Moore GM, McFarland EW, Metiu H. 2013. Methane Oxidation by Lanthanum Oxide Doped with Cu, Zn, Mg, Fe, Nb, Ti, Zr, or Ta: the Connection Between the Activation Energy and the Energy of Oxygen-Vacancy Formation. Catalysis Letters. 143(5):406–410.

Palmer C, Tarazkar M, Kristoffersen HH, Gelinas J, Gordon MJ, McFarland EW, Metiu H. 2019. Methane Pyrolysis with a Molten Cu–Bi Alloy Catalyst. ACS Catalysis.

Isley NA, Wang Y, Gallou F, Handa S, Aue DH, Lipshutz BH. 2017. A Micellar Catalysis Strategy for Suzuki–Miyaura Cross-Couplings of 2-Pyridyl MIDA Boronates: No Copper, in Water, Very Mild Conditions. ACS Catalysis. 7:8331–8337.

Ott J, Völker B, Gan Y, McMeeking RM, Kamlah M. 2013. A micromechanical model for effective conductivity in granular electrode structures. Acta Mechanica Sinica. 29:682–698.

Pintus P, Huang D, Zhang C, Shoji Y, Mizumoto T, Bowers JE. 2017. Microring-based Optical Isolator and Circulator with Integrated Electromagnet for Silicon Photonics. Journal of Lightwave Technology.

Pintus P, Huang D, Zhang C, Shoji Y, Mizumoto T, Bowers JE. 2017. Microring-based optical isolator and circulator with integrated electromagnet for silicon photonics. Journal of Lightwave Technology. 35:1429–1437.

Van de Walle C.G, Segev D.. 2007. Microscopic origins of surface states on nitride surfaces. J. Appl. Phys.. 101:81704.

Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT. 2010. Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.

Levi AE, Lequieu J, Horne JD, Bates MW, Ren JM, Delaney KT, Fredrickson GH, Bates CM. 2019. Miktoarm Stars via Grafting-Through Copolymerization: Self-Assembly and the Star-to-Bottlebrush Transition. Macromolecules.

Oliveira RM, Meiburg E. 2011. Miscible displacements in Hele-Shaw cells: three-dimensional Navier–Stokes simulations. Journal of Fluid Mechanics. 687:431–460.

Levine ZA, Teranishi K, Okada AK, Langen R, Shea J-E. 2019. The Mitochondrial Peptide Humanin Targets, but does not Denature Amyloid Oligomers in Type II Diabetes. Journal of the American Chemical Society.

Smith A., Mizoguchi H., Delaney KT, Spaldin N.A, Sleight A., Subramanian M.A. 2009. Mn3+ in Trigonal Bipyramidal Coordination: a New Blue Chromophore. J. Am. Chem. Soc.. 131:17084-17086.

Suen JY, Fang MT, Denny SP, Lubin PM. 2015. Modeling of Terabit Geostationary Terahertz Satellite Links From Globally Dry Locations. Terahertz Science and Technology, IEEE Transactions on. 5:299–313.

Xu S. 2018. MODELING PLASTIC DEFORMATION OF NANO/SUBMICRON-SIZED TUNGSTEN PILLARS UNDER COMPRESSION: A COARSE-GRAINED ATOMISTIC APPROACH. International Journal for Multiscale Computational Engineering. 16

Danielsen SPO, McCarty J, Shea J-E, Delaney KT, Fredrickson GH. 2019. Molecular design of self-coacervation phenomena in block polyampholytes. Proceedings of the National Academy of Sciences. 116:8224–8232.

Cochran JE, Junk MJN, Glaudell AM, P Miller L, Cowart JS, Toney MF, Hawker CJ, Chmelka BF, Chabinyc ML. 2014. Molecular Interactions and Ordering in Electrically Doped Polymers: Blends of PBTTT and F4TCNQ. Macromolecules. 47:6836–6846.

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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.