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Liu X, Burgers MA, Hsu BBY, Coughlin JE, Perez LA, Heeger AJ, Bazan GC. 2015. Molecular orientation within thin films of isomorphic molecular semiconductors. RSC Advances. 5:89144–89148.

Das S, Lee BHoon, Linstadt R, Cunha K, Li Y, Kaufman Y, Levine ZA, Lipshutz BH, Lins RD, Shea J-E et al.. 2016. Molecularly Smooth Self-Assembled Monolayer for High-Mobility Organic Field-Effect Transistors. Nano Letters. 16(10):6709-6715.

Kristoffersen HH, Metiu H. 2015. Molten LiCl Layer Supported on MgO: Its Possible Role in Enhancing the Oxidative Dehydrogenation of Ethane. The Journal of Physical Chemistry C. 119:8681–8691.

Tree DR, Delaney KT, Ceniceros HD, Iwama T, Fredrickson GH. 2017. A multi-fluid model for microstructure formation in polymer membranes. Soft Matter. 13:3013–3030.

Britto S, Leskes M, Hua X, Hébert C-A, Shin HSuk, Clarke S, Borkiewicz O, Chapman KW, Seshadri R, Cho J et al.. 2015. Multiple Redox Modes in the Reversible Lithiation of High-Capacity, Peierls-Distorted Vanadium Sulfide. Journal of the American Chemical Society. 137:8499–8508.

Kulkarni PM, Fu C-C, M Shell S, L Leal G. 2013. Multiscale modeling with smoothed dissipative particle dynamics. The Journal of chemical physics. 138:234105.

Petsev ND, L Leal G, M Shell S. 2016. Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics. Journal of Chemical Physics. 144(8):8.

Düchs D, Delaney KT, Fredrickson GH. 2014. A Multi-Species Exchange Model for Fully Fluctuating Polymer Field Theory Simulations. Journal of Chemical Physics. 141(17):174103.

Ganguly P, Hajari T, Shea J-E, van der Vegt NFA. 2015. Mutual Exclusion of Urea and Trimethylamine N-oxide from Amino Acids in Mixed Solvent Environment. The Journal of Physical Chemistry Letters. 6:581–585.

Janotti A., Reunchan P., Limpijumnong S., Van de Walle C.G. 2008. Mutual Passivation of Electrically Active and Isovalent Impurities in Dilute Nitrides. Phys. Rev. Lett.. 100:45505.

N

Pho TV, Yuen JD, Kurzman JA, Smith BG, Miao M, Walker WT, Seshadri R, Wudl F. 2012. N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors. Journal of the American Chemical Society. 134(44):18185–18188.

Chavoshi SZare, Xu S. 2018. Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling. Progress in Materials Science.

Smith D.J, Leal L.G, Mitragotri S., Shell M.S. 2018. Nanoparticle transport across model cellular membranes: when do solubility-diffusion models break down? Journal of Physics D: Applied Physics. 51(29):1-15.

Hwang J, Zhang JY, Son J, Stemmer S. 2012. Nanoscale quantification of octahedral tilts in perovskite films. Applied Physics Letters. 100:191909.

Douglas JE, Chater PA, Brown CM, Pollock TM, Seshadri R. 2014. Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn. Journal of Applied Physics. 116:163514.

Lin Y, McCarty J, Rauch JN, Delaney KT, Kosik KS, Fredrickson GH, Shea J-E, Han S. 2019. Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions. Elife. 8:e42571.

Weber J.R, Janotti A., Van de Walle C.G. 2011. Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.

Choi M, Janotti A, Van de Walle CG. 2013. Native point defects and dangling bonds in alpha-Al2O3. Journal of Applied Physics. 113(4):44501.

Weston L., Wikramaratne D., Alkauskas A., Van de Walle C.G. 2018. Native point defects and impurities in hexagonal boron nitride. Physical Review B. (97):1-13.

Choi M, Janotti A, Van de Walle CG. 2013. Native point defects in LaAlO3 : A hybrid functional study. Phys. Rev. B. 88:214117.

Kurzman JA, Moffitt SL, Llobet A, Seshadria R. 2011. Neutron diffraction study of La4LiAuO8: Understanding Au3+ in an oxide environment. Journal of Solid State Chemistry. 184:1439.

Janotti A., Van de Walle C.G. 2006. New insights into the role of native point defects in ZnO. Journal of Crystal Growth. 287:58-65.

Patel SN, Su GM, Luo C, Wang M, Perez LA, Fischer DA, Prendergast D, Bazan GC, Heeger AJ, Chabinyc ML et al.. 2015. NEXAFS Spectroscopy Reveals the Molecular Orientation in Blade-Coated Pyridal [2, 1, 3] thiadiazole-Containing Conjugated Polymer Thin Films. Macromolecules.

Carroll IThomas. 2013. Niche theory and the persistence of populations: applications to competitive communities and an infectious disease.

Miao M-S, Van de Walle CG. 2015. Nitride-based high-electron-mobility transistor with single-layer InN for mobility-enhanced channel. Applied Physics Express. 8:024302.

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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.