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Journal Article

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

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.

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

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

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

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.

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

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.

Schueller EC, Kitchaev DA, Zuo JL, Bocarsly JD, Cooley JA, Van der Ven A, Wilson SD. 2020. Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo $ _4 $ Se $ _8$. arXiv preprint arXiv:2005.06662.

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.

Levin EE, Bocarsly JD, Grebenkemper JH, Issa R, Wilson SD, Pollock TM, Seshadri R. 2020. Structural coupling and magnetic tuning in Mn2- x Co x P magnetocalorics for thermomagnetic power generation. APL Materials. 8:041106.

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.

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

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

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.

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

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.

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.

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.

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

Sen M, Mooijman D, Boisset J-C, Chialastri A, Popovic M, Heindryckx B, Lopes SMChuva de, Dey SS, van Oudenaarden A. 2019. Strand-specific single-cell methylomics reveals distinct modes of DNA demethylation dynamics during early mammalian development. bioRxiv. :804526.

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

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.

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.

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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.