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Zhu Z, Peelaers H, Van de Walle CG. 2016. Hydrogen intercalation in MoS 2. Physical Review B. 94(8):085426.

Janotti A., Van de Walle C.G. 2007. Hydrogen multicenter bonds. Nature Materials. 6:44-47.

Choi M, Janotti A, Van de Walle CG. 2014. Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.

Varley J.B., Peelaers H., Janotti A., Van de Walle C.G.. 2011. Hydrogenated cation vacancies in semiconducting oxides. J. Phys.: Condens. Matter. 23:334212.

Varley JB, Janotti A, Van de Walle CG. 2014. Hydrogenated vacancies and hidden hydrogen in SrTiO 3. Physical Review B. 89:075202.

Hoang K, Van de Walle CG. 2009. Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study. Phys. Rev. B. 80:214109.

Peles A., Van de Walle C.G.. 2007. Hydrogen-related defects in sodium alanate. Journal of Alloys and Compounds. Proceedings of the International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2006):446-447,459-461.

Ganguly P, van der Vegt NFA, Shea J-E. 2016. Hydrophobic Association in Mixed Urea–TMAO Solutions. Journal of Physical Chemistry Letters. 7(15):3052-3059.

I

Lyons JL, Krishnaswamy K, Gordon L, Janotti A, Van de Walle CG. 2016. Identification of microscopic hole-trapping mechanisms in nitride semiconductors. IEEE Electron Device Letters. 37:154–156.

Choi M, Lyons JL, Janotti A, Van de Walle CG. 2013. Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices. Appl. Phys. Lett. 102:142902.

Peelaers H, Krishnaswamy K, Gordon L, Steiauf D, Sarwe A, Janotti A, Van de Walle CG. 2015. Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.

Lyons JL, Janotti A, Van de Walle CG. 2013. Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys.. 52:08JJ04.

Choi M, Lyons JL, Janotti A, Van de Walle CG. 2013. Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.

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.

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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.