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Peelaers H, Van de Walle CG. 2015. Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.

Griffy B. 2017. Borrowing Constraints, Search, and Life-Cycle Inequality.

Paradiso SP, Delaney KT, García-Cervera CJ, Ceniceros HD, Fredrickson GH. 2013. Block Copolymer Self Assembly during Rapid Solvent Evaporation: Insights into Cylinder Growth and Stability. ACS Macro Letters. 3:16–20.

Souza MLima, DeMartino AW, Ford PC. 2017. Biological Thiols and Carbon Disulfide: The Formation and Decay of Trithiocarbonates under Physiologically Relevant Conditions. ACS Omega. 2:6535–6543.

Turner T, Giauque CC, Schrider DR, Kern AD. 2015. Behavioral variation in Drosophila melanogaster: no evidence for common alleles of large-effect at the foraging gene in a population from North Carolina, USA. bioRxiv. :004325.

Abdelghany M, Madhow U, Tölli A. 2019. Beamspace Local LMMSE: An Efficient Digital Backend for mmWave Massive MIMO. 2019 IEEE 20th International Workshop on Signal Processing Advances in Wireless Communications (SPAWC).

Das T, Iyer PP, DeCrescent RA, Schuller JA. 2015. Beam engineering for selective and enhanced coupling to multipolar resonances. Physical Review B. 92:241110.

Bales B, Petzold L, Goodlet BR, Lenthe WC, Pollock TM. 2018. Bayesian inference of elastic properties with resonant ultrasound spectroscopy. The Journal of the Acoustical Society of America. 143:71–83.

Krishnaswamy K, Bjaalie L, Himmetoglu B, Janotti A, Gordon L, Van de Walle CG. 2016. BaSnO3 as a channel material in perovskite oxide heterostructures. Applied Physics Letters. 108(8):083501.

Izumi K, Kim BJ, Laachi N, Delaney KT, Carilli MF, Fredrickson GH. 2015. Barriers to defect melting in chemo-epitaxial directed self-assembly of lamellar-forming diblock copolymer/homopolymer blends. Proc. SPIE 9423, Alternative Lithographic Technologies VII.

Wang H, Zhou T. 2019. Barrier from chaos: operator entanglement dynamics of the reduced density matrix. Journal of High Energy Physics. 2019:20.

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.

Moses PGeorg, Van de Walle CG. 2010. Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.

Bjaalie L, Azcatl A, McDonnell S, Freeze CR, Stemmer S, Wallace RM, Van de Walle CG. 2016. Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.

Adamski NL, Wickramaratne D, Van de Walle CG. 2020. Band alignments and polarization properties of the Zn-IV-nitrides. Journal of Materials Chemistry C.

Dreyer CE, Lyons JL, Janotti A, Van de Walle CG. 2014. Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.

Janotti A, Bjaalie L, Himmetoglu B, Van de Walle CG. 2014. Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.

A

Denault KA, Brgoch J, Kloß SD, Gaultois MW, Siewenie J, Page K, Seshadri R. 2015. Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts. ACS applied materials & interfaces. 7:7264–7272.

Alexander GCB, Fabini DH, Seshadri R, Kanatzidis MG. 2018. AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor. Inorganic chemistry.

Steiauf D, Kioupakis E, Van de Walle CG. 2014. Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.

Lipshutz BHoward, Slack E, Seupel R, Aue D, Bringmann G. 2019. Atroposelective Total Synthesis of the Fourfold ortho-Substituted Naphthyltetrahydroisoquinoline Biaryl O, N-Dimethylhamatine. Chemistry–A European Journal.

Trusty T, Xu S, Beyerlein IJ. 2019. Atomistic simulations of tungsten nanotubes under uniform tensile loading. Journal of Applied Physics. 126:095105.

Jian W-R, Zhang M, Xu S, Beyerlein I. 2020. Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study. Modelling and Simulation in Materials Science and Engineering.

Jun X, Shuozhi X, Beyerlein I. 2019. Atomistic simulations of dipole tilt wall stability in thin films. Thin Solid Films.

Xu S, Hwang E, Jian W-R, Su Y, Beyerlein IJ. 2020. Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys. Intermetallics. 124:106844.

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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.