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Kristoffersen HH, Neilson HL, Buratto SK, Metiu H. 2017. Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms. The Journal of Physical Chemistry C. 121:8444–8451.

Guittet A, Theillard M, Gibou F. 2015. A stable projection method for the incompressible Navier–Stokes equations on arbitrary geometries and adaptive Quad/Octrees. Journal of Computational Physics. 292:215–238.

Vinckeviciute J, Radin MD, Van der Ven A. 2016. Stacking-sequence changes and Na ordering in layered intercalation materials. Chemistry of Materials. 28:8640–8650.

Martin JM, Li W, Delaney KT, Fredrickson GH. 2016. Statistical field theory description of inhomogeneous polarizable soft matter. Journal of Chemical Physics. 145(15):154104.

Miao M, Brgoch J, Krishnapriyan A, Goldman A, Kurzman JA, Seshadri R. 2013. On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.

Yan Q, Rinke P, Winkelnkemper M, Qteish A, Bimberg D, Scheffler M, Van de Walle CG. 2012. Strain effects and band parameters in MgO, ZnO, and CdO. Appl. Phys. Lett.. 101:152105.

Yan Q, Rinke P, Scheffler M, Van de Walle CG. 2009. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.

Yan Q, Rinke P, Scheffler M, Van de Walle CG. 2009. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.

Janotti A., Steiauf D., Van de Walle C.G. 2011. Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities. Phys. Rev. B. 84:201304.

Hatt AJ, Spaldin NA, Ederer C. 2010. Strain-induced isosymmetric phase transition in BiFeO3. Phys. Rev. B. 81:54109.

Adamski NL, Zhu Z, Wickramaratne D, Van de Walle CG. 2019. Strategies for p-type doping of ZnGeN2. Applied Physics Letters. 114

Christen H.M, Nam J.H, Kim H.S, Hatt A.J, Spaldin N.A. 2011. Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films. Phys. Rev. B. 83:144107.

Zheng Y, Miao M-S, Zhang Y, Nguyen T-Q, Wudl F. 2014. Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal of the American Chemical Society.

Jang SGyu, Audus DJ, Klinger D, Krogstad DV, Kim BJ, Cameron A, Kim S-W, Delaney KT, Hur S-M, Killops KL et al.. 2013. Striped, Ellipsoidal Particles by Controlled Assembly of Diblock Copolymers. Journal of the American Chemical Society. 135(17):6649.

Zhu Z, Jiang H-C, Qi Y, Tian C-S, Weng Z-Y. 2013. Strong correlation induced charge localization in antiferromagnets. Scientific Reports. 3

Lee JHee, Delaney KT, Bousquet E, Spaldin NA, Rabe KM. 2013. Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3. Physical Review B. 88:174426.

Song X-Y, Jian C-M, Balents L. 2017. Strongly correlated metal built from sachdev-ye-kitaev models. Physical review letters. 119:216601.

Peelaers H, Varley JB, Speck JS, Van de Walle CG. 2018. Structural and electronic properties of Ga2O3-Al2O3 alloys. Applied Physics Letters. 112(24)

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.

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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.