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2016

Dreyer CE, Janotti A, Van de Walle CG, Vanderbilt D. 2016. Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides. Physical Review X. 6(2):021038.

Radin MD, Van der Ven A. 2016. Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28(21):7898–7904.

2015

Zerze GH, Mullen RGotchy, Levine ZA, Shea J-E, Mittal J. 2015. To what extent does surface hydrophobicity dictate peptide folding and stability near surfaces? Langmuir. 31(44):12223–12230.

2014

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.

2013

Guide M, Pla S, Sharenko A, Zalar P, Fernández-Lázaro F, Sastre-Santos A, Nguyen T‐Q. 2013. A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells.. Physical Chemistry Chemical Physics. 15:18894–18899.

2012

Li B, Metiu H. 2012. Does Halogen Adsorption Activate the Oxygen Atom on an Oxide Surface? I. A Study of Br 2 and HBr Adsorption on La 2 O 3 and La 2 O 3 Doped with Mg or Zr Journal of Physical Chemistry C. 116(6):4137–4148.

2011

Sharma S, Hu Z, Zhang P, McFarland EW, Metiu H. 2011. CO2 methanation on Ru-doped ceria. Journal of Catalysis. 278:297–309.

Hu Z, Metiu H. 2011. Effect of Dopants on the Energy of Oxygen-Vacancy Formation at the Surface of Ceria: Local or Global? Journal of Physical Chemistry C. 115(36):17898–17909.

2010

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.

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.