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Weston L, Janotti A, Cui XY, Himmetoglu B, Stampfl C, Van de Walle CG. 2015. Structural and electronic properties of SrZrO 3 and Sr (Ti, Zr) O 3 alloys. Physical Review B. 92:085201.

Wei G, Jewett AI, Shea J-E. 2010. Structural diversity of dimers of the Alzheimer amyloid-β(25–35) peptide and polymorphism of the resulting fibrils. Phys. Chem. Chem. Phys. 12:3622.

Hwang J, Son J, Zhang JY, Janotti A, Van de Walle CG, Stemmer S. 2013. Structural origins of the properties of rare earth nickelate superlattices. Phys. Rev. B. 87(6):60101.

Hatt AJ, Spaldin NA. 2010. Structural phases of strained LaAlO3 driven by octahedral tilt instabilities. Phys. Rev. B. 82:195402.

Wu C, Shea J-E. 2013. Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. PLoS computational biology. 9:e1003211.

Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG. 2014. Structure and energetics of LaAlO 3 (001) surfaces. Physical Review B. 90:235436.

Kristoffersen HH, Metiu H. 2016. Structure and Oxidizing Power of Single Layer $\alpha$-V2O5. Topics in Catalysis. 59:809–816.

Bellesia G., Shea J.-E.. 2008. Structure and stability of amyloid fibrils formed from synthetic beta-peptides. Frontiers in Bioscience. 13(9):6957-6965.

Baumketner A., Bernstein S.L, Wyttenbach T., Lazo N.D, Teplow D.B, Bowers M.T, Shea J.-E.. 2006. Structure of the 21-30 fragment of amyloid Beta protein. Protein Science. 15:1239.

Kristoffersen HH, Metiu H. 2016. Structure of V2O5· n H2O Xerogels. The Journal of Physical Chemistry C. 120:3986–3992.

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.

Peelaers H, Van de Walle CG. 2017. Sub-band-gap absorption in Ga2O3. Applied Physics Letters. 111:182104.

Kim T, Delaney J. 2013. Subspace Fluid Re-Simulation. Proceedings of ACM SIGGRAPH. (in press)

Henske JK, Springer SD, O'Malley MA, Butler A. 2018. Substrate-based differential expression analysis reveals control of biomass degrading enzymes in Pycnoporus cinnabarinus. Biochemical Engineering Journal. 130:83–89.

Garcia ES, Tague CL. 2015. Subsurface storage capacity influences climate–evapotranspiration interactions in three western United States catchments. Hydrology and Earth System Sciences. 19:4845–4858.

Gordon L, Varley JB, Lyons JL, Janotti A, Van de Walle CG. 2015. Sulfur doping of AlN and AlGaN for improved n-type conductivity. physica status solidi (RRL)-Rapid Research Letters. 9:462–465.

Delaney K.T, Mostovoy M., Spaldin N.A. 2009. Superexchange-Driven Magnetoelectricity in Magnetic Vortices. Phys. Rev. Lett.. 102:157203.

Carpenter CL, Delaney KT, Fredrickson GH. 2017. Suppression of thermal fluctuation placement errors in linear arrays of block copolymer cylinders. Advances in Patterning Materials and Processes XXXIV.

Levine ZA, Rapp MV, Wei W, Mullen RGotchy, Wu C, Zerze GH, Mittal J, J Waite H, Israelachvili JN, Shea J-E. 2016. Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces. Proceedings of the National Academy of Sciences. :201603065.

Lyons JL, Van de Walle CG. 2016. Surprising stability of neutral interstitial hydrogen in diamond and cubic BN. Journal of Physics: Condensed Matter. 28:06LT01.

Butakov NA, Valmianski I, Lewi T, Urban C, Ren Z, Mikhailovsky AA, Wilson SD, Schuller IK, Schuller JA. 2017. Switchable Plasmonic–Dielectric Resonators with Metal–Insulator Transitions. ACS Photonics.

Zhang JY, Hwang J, Raghavan S, Stemmer S. 2013. Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical review letters. 110:256401.

McDearmon B, Lim E, O'Hara K, Nakayama H, Luo Y, Chabinyc ML, Hawker CJ. 2017. Synthesis of a versatile pentacyclic building block for organic electronics. Journal of Polymer Science Part A: Polymer Chemistry. 55:2618–2628.

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Frumkin JA, Doherty MF. 2018. Target bounds on reaction selectivity via Feinberg's CFSTR equivalence principle. AIChE Journal. 64:926–939.

Ganguly P, Do TD, Larini L, LaPointe NE, Sercel AJ, Shade MF, Feinstein SC, Bowers MT, Shea J-E. 2015. Tau Assembly: The Dominant Role of PHF6 (VQIVYK) in Microtubule Binding Region Repeat R3. The Journal of Physical Chemistry B. 119:4582–4593.

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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.