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2010

Varley J.B, Janotti A., Van de Walle C.G. 2010. Group-V impurities in SnO2 from first-principles calculations. Phys. Rev. B. 81:245216.

Janotti A., Varley J.B, Rinke P., Umezawa N., Kresse G., Van de Walle C.G. 2010. Hybrid functional studies of the oxygen vacancy in TiO2. Phys. Rev. B. 81:85212.

Oo W.MHlaing, Tabatabaei S., McCluskey M.D, Varley J.B, Janotti A., Van de Walle C.G. 2010. Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.

Weber J.R, Janotti A., Van de Walle C.G. 2010. Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces. Appl. Phys. Lett.. 97:192106.

Bousquet E, Spaldin N. 2010. J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.

Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT. 2010. Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.

Umezawa N, Shiraishi K. 2010. Origin of high solubility of silicon in La2O3: A first-principles study. Appl. Phys. Lett.. 97:202906.

Varley J.B., Weber J.R., Janotti A., Van de Walle C.G.. 2010. Oxygen vacancies and donor impurities in beta-Ga2O3. Appl. Phys. Lett.. 97:142106.

Turner TL, Bourne EC, Von Wettberg EJ, Hu TT, Nuzhdin SV. 2010. Population resequencing reveals local adaptation of Arabidopsis lyrata to serpentine soils. Nature Genetics. 42:260-263.

Soto-Verdugo V, Metiu H, Gwinn E. 2010. The properties of small Ag clusters bound to DNA bases. J. Chem. Phys.. 132:195102.

Weber J.R., Koehl W.F., Varley J.B., Janotti A., Buckley B.B., Van de Walle C.G., Awschalom D.D.. 2010. Quantum Computing with Defects. Proc. Natl. Acad. Sci.. 107:8513.

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.

Yan Q, Rinke P, Scheffler M, Van de Walle CG. 2010. Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Appl. Phys. Lett.. 97:181102.

Bellesia G., Jewett A.I, Shea J.-E.. 2010. Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.

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

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.

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

Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT. 2010. Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.

Delaney KT, Spaldin NA, Van de Walle CG. 2010. Theoretical Study of Schottky-Barrier Formation at Epitaxial Rare-Earth-Metal/Semiconductor Interfaces. Phys. Rev. B. 81:165312.

Bousquet E, Spaldin NA, Delaney KT. 2010. Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Phys. Rev. Lett.. 106:107202.

Choudhury D., Venimadhav A., Kakarla C., Delaney KT. 2010. Unusual dielectric response in B-site size-disordered hexagonal transition-metal oxides. Appl. Phys. Lett.. 96:162903.

2011

Van de Walle CG, Janotti A. 2011. Advances in electronic structure methods for defects and impurities in solids. Phys. Status Solidi B. 248:19.

Yan Q, Rinke P, Winkelnkemper M, Qteish A, Bimberg D, Scheffler M, Van de Walle CG. 2011. Band parameters and strain effects in ZnO and group-III nitrides. Semicond. Sci. Technol.. 26:14037.

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

Brown FLH. 2011. Continuum simulations of biomembrane dynamics and the importance of hydrodynamic effects. Quarterly Reviews of Biophysics. 1-Jul-11:-.

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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.