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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.

Kc S, Rowberg AJE, Weston L, Van de Walle CG. 2019. First-principles study of antisite defects in perovskite stannates. Journal of Applied Physics. 126:195701.

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.

Mu S, Rowberg AJE, Leveillee J, Giustino F, Van de Walle CG. 2021. First-principles study of electron transport in ScN. arXiv preprint arXiv:2105.07323.

Kang Y, Peelaers H, Van de Walle CG. 2019. First-principles study of electron-phonon interactions and transport in anatase TiO 2. Physical Review B. 100:121113.

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.

Wilson-Short GB, Janotti A, Hoang K, Peles A, Van de Walle CG. 2009. First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.

Himmetoglu B, Janotti A, Peelaers H, Alkauskas A, Van de Walle CG. 2014. First-principles study of the mobility of SrTiO 3. Physical Review B. 90:241204.

Wang W, Kang Y, Peelaers H, Krishnaswamy K, Van de Walle CG. 2020. First-principles study of transport in WO 3. Physical Review B. 101:045116.

Steiauf D, Lyons JL, Janotti A, Van de Walle CG. 2014. First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.

Mu S, Wang M, Peelaers H, Van de Walle CG. 2020. First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3. APL Materials. 8:091105.

Lyons JL, Alkauskas A, Janotti A, Van de Walle CG. 2015. First-principles theory of acceptors in nitride semiconductors. physica status solidi (b). 252:900–908.

Lugowski A, Alber D, Buluc A, Gilbert J, Reinhardt S, Teng Y, Waranis A. 2012. A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. SIAM Conference on Data Mining (SDM). in press

Rudorff CM, Melack JM, Bates PD. 2014. Flooding dynamics on the lower Amazon floodplain: 1. Hydraulic controls on water elevation, inundation extent, and river-floodplain discharge. Water Resources Research.

Rudorff CM, Melack JM, Bates PD. 2014. Flooding dynamics on the lower Amazon floodplain: 2. Seasonal and interannual hydrological variability. Water Resources Research.

Wang Y, Lei HUAN, Atzberger PJ. 2018. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics and Mechanics. 39:125–152.

Wang Y, Atzberger P. 2013. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).

Camley BA, Brown FLH. 2014. Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal of chemical physics. 141:075103.

Brandt EG. 2013. Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.

Baumketner A., Shea J.-E.. 2006. Folding landscapes of the Alzheimer A\beta12-28 peptide from all-atom replica exchange molecular dynamics simulations in explicit solvent. J. Mol. Biol.. 362:567-579.

Park MSik, Janotti A, Van de Walle CG. 2009. Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.

Ratcliff EL, II RCBakus, Welch GC, van der Poll TS, Garcia A, Cowan SR, MacLeod BA, Ginley DS, Bazan GC, Olson DC. 2013. Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy. Journal of Materials Chemistry C. 1:6223–6234.

Xu S, Su Y, Smith LTW, Beyerlein IJ. 2020. Frank-Read source operation in six body-centered cubic refractory metals. Journal of the Mechanics and Physics of Solids. :104017.

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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.