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Barel I, Reich NO, Brown FLH. 2015. Extracting enzyme processivity from kinetic assays. Journal of Chemical Physics. 143(22):224115.

F

Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ. 2014. A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie.

Chang D, Chen M-H, Van der Ven A. 2015. Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries. Chemistry of Materials. 27:7593–7600.

Do TD, LaPointe NE, Sangwan S, Teplow DB, Feinstein SC, Sawaya MR, Eisenberg D, Bowers MThomas. 2014. Factors that Drive Peptide Assembly from Native to Amyloid Structures: Experimental and Theoretical Analysis of [Leu-5]-Enkephalin Mutants. The Journal of Physical Chemistry B.

Li W, Delaney KT, Fredrickson GH. 2016. Fddd network phase in ABA triblock copolymer melts. Journal of Polymer Science Part B: Polymer Physics. 54:1112–1117.

Teicher SML, Lamontagne LK, Schoop LM, Seshadri R. 2019. Fermi-level Dirac crossings in 4 d and 5 d cubic metal oxides: NaPd 3 O 4 and NaPt 3 O 4. Physical Review B. 99:195148.

Ning S-Q, Jiang H-C, Liu Z-X. 2014. Fermionic Symmetry Protected Topological Phase Induced by Interactions. arXiv preprint arXiv:1412.0092.

Kirchhofer ND, Rengert ZD, Dahlquist FW, Nguyen T-Q, Bazan GC. 2017. A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem. 2:240–257.

Carbogno C, Levi CG, Van de Walle CG, Scheffler M. 2014. Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B. 90:144109.

Wu X-C, Keselman A, Jian C-M, Pawlak KAnn, Xu C. 2019. Ferromagnetism and Spin-Valley liquid states in Moir$\backslash$'${$e$}$ Correlated Insulators. arXiv preprint arXiv:1905.00033.

Riggleman R.A, Fredrickson G.H. 2010. Field-theoretic simulations in the Gibbs ensemble. J. Chem. Phys.. 132:24104.

Grzetic DJ, Delaney KT, Fredrickson GH. 2019. Field-Theoretic Study of Salt-Induced Order and Disorder in a Polarizable Diblock Copolymer. ACS Macro Letters.

Parker E, Balents L. 2018. Finite-temperature behavior of a classical spin-orbit-coupled model for ${\mathrm{YbMgGaO}}_{4}$ with and without bond disorder. Phys. Rev. B. 97:184413.

Krishnaswamy K, Himmetoglu B, Kang Y, Janotti A, Van de Walle CG. 2017. First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.

Kioupakis E, Steiauf D, Rinke P, Delaney KT, Van de Walle CG. 2014. First-principles calculations of indirect Auger recombination in nitride semiconductors. arXiv preprint arXiv:1412.7555.

Lyons JL, Varley JB, Janotti A, Van de Walle CG. 2018. First-principles calculations of optical transitions at native defects and impurities in ZnO. Oxide-based Materials and Devices IX.

Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG. 2018. First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.

Lyons JL, Varley JB, Steiauf D, Janotti A, Van de Walle CG. 2017. First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.

Natarajan ARaju, Van der Ven A. 2017. First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.

Wilson-Short G.B., Janottia A., Pelesa A., Van de Walle CG. 2009. First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.

Su GM, Patel SN, Pemmaraju CD, Prendergast D, Chabinyc ML. 2017. First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal of Physical Chemistry C. 121:9142–9152.

Krishnapriyan A, Barton PT, Miao M, Seshadri R. 2014. First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se). Journal of Physics: Condensed Matter. 26:155802.

Kang Y, Peelaers H, Krishnaswamy K, Van de Walle CG. 2018. First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters. 112:062106.

Yan Q, Kioupakis E, Jena D, Van de Walle CG. 2014. First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.

Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG. 2015. First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B. 92:085420.

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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.