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Tailor HD, Lyons JL, Dreyer CE, Janotti A, Van de Walle CG. 2016. Impact of nitrogen and carbon on defect equilibrium in ZrO 2. Acta Materialia. 117:286–292.

Völker B, McMeeking RM. 2012. Impact of particle size ratio and volume fraction on effective material parameters and performance in solid oxide fuel cells.. Journal of Power Sources. 215:199-215.

Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG. 2018. Impact of point defects on electrochromism in WO 3. Oxide-based Materials and Devices IX.

Swift M, Van de Walle CG. 2016. Impact of Point Defects on Proton Conduction in Strontium Cerate. The Journal of Physical Chemistry C. 120:9562–9568.

Welch GC, Bakus RCharles, Teat SJ, Bazan GC. 2013. Impact of Regiochemistry and Isoelectronic Bridgehead Sub-stitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores. Journal of the American Chemical Society. 135:2298.

J Pro W, Lim RKwei, Petzold LR, Utz M, Begley MR. 2015. The impact of stochastic microstructures on the macroscopic fracture properties of brick and mortar composites. Extreme Mechanics Letters.

Vermaak N, Valdevit L, Evans AG, Zok FW, McMeeking RM. 2011. Implications of Shakedown for Design of Actively Cooled Thermostructural Panels. Journal of Mechanics of Materials and Structures. 6:1313.

Shang C, Haiman Z, Knox L, S. Oh P. 2012. Improved models for cosmic infrared background anisotropies: new constraints on the infrared galaxy population. Monthly Notices of the Royal Astronomical Society. 421:2832-2845.

Luo Y, Kim BJ, Montarnal D, Mester Z, Pester CW, McGrath AJ, Hill G, Kramer EJ, Fredrickson GH, Hawker CJ. 2016. Improved self-assembly of poly(dimethylsiloxane- {\textless}i{\textgreater}b{\textless}/i{\textgreater} -ethylene oxide) using a hydrogen-bonding additive. Journal of Polymer Science Part A: Polymer Chemistry. 54:2200–2208.

MacFarlane RJ, Kim BJ, Lee B, Weitekamp RA, Bates CM, Lee SFung, Chang AB, Delaney KT, Fredrickson GH, Atwater HA et al.. 2014. Improving Brush Polymer Infrared One-Dimensional Photonic Crystals via Linear Polymer Additives.. Journal of the American Chemical Society. 136(50):17374–17377.

Joswiak MN, Peters B, Doherty MF. 2018. In Silico Crystal Growth Rate Prediction for NaCl from Aqueous Solution. Crystal Growth & Design. 18:6302–6306.

Peelaers H, Steiauf D, Varley JB, Janotti A, Van de Walle CG. 2015. (In x Ga 1- x) 2 O 3 alloys for transparent electronics. Physical Review B. 92:085206.

Kioupakis E, Rinke P, Delaney KT, Van de Walle CG. 2011. Indirect Auger recombination as a cause of efficiency droop in nitride LEDs. Appl. Phys. Lett.. 98:161107.

BJ, Jr D, M S, LR P, A. S. 2015. Inferring single-cell gene expression mechanisms using stochastic simulation.. Bioinformatics. 31(9):1428-1435.

Baumketner A., Shea J.-E.. 2005. The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides. J. Phys. Chem. B. 109:21322.

Holland CC, McMeeking RM. 2015. The influence of mechanical and microstructural properties on the rate-dependent fracture strength of ceramics in uniaxial compression. International Journal of Impact Engineering. 81:34–49.

Larini L, Gessel MMurray, LaPointe NE, Do TD, Bowers M, Feinstein SC, Shea J-E. 2013. Initiation of Assembly of Tau(273-284) and its DK280 Mutant: An Experimental and Computational Study. Phys. Chem. Chem. Phys.. 15:8916-8928.

Miao M, Botana J, Pravica M, Sneed D, Park C. 2017. Inner-shell chemistry under high pressure. Japanese Journal of Applied Physics. 56:05FA10.

Barel I, Reich NO, Brown FLH. 2019. Integrated rate laws for processive and distributive enzymatic turnover. The Journal of chemical physics. 150:244120.

Kristoffersen HH, Metiu H. 2016. Interaction between Monomeric Vanadium Oxide Clusters Supported on Titania and Its Influence on Their Reactivity. Journal of Physical Chemistry C. 120(25)

Gonzalez-Juez E.D, Meiburg E., . E, Constantinescu S.G. 2009. The interaction of a gravity current with a circular cylinder mounted above a wall: Effect of the gap size. J. Fluid Struct.. 25:629-640.

Do TD, Economou NJ, Chamas A, Buratto SK, Shea J-E, Bowers MT. 2014. Interactions between Amyloid-$\beta$ and Tau Fragments Promote Aberrant Aggregates: Implications for Amyloid Toxicity. The Journal of Physical Chemistry B. 118:11220–11230.

Ismer L, Park MSik, Janotti A, Van de Walle CG. 2009. Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory.. Phys. Rev. B. 80:184110.

Himmetoglu B, Janotti A, Bjaalie L, Van de Walle CG. 2014. Interband and polaronic excitations in YTiO 3 from first principles. Physical Review B. 90:161102.

Kim Y, Dellabetta B, Gilbert MJ. 2012. Interlayer transport in disordered semiconductor electron bilayers. Journal of Physics: Condensed Matter. 24(35):355301.

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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.