Publications

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2018
Smith D.J, Leal L.G, Mitragotri S., Shell M.S.  2018.  Nanoparticle transport across model cellular membranes: when do solubility-diffusion models break down? Journal of Physics D: Applied Physics. 51(29):1-15.
Weston L., Wikramaratne D., Alkauskas A., Van de Walle C.G.  2018.  Native point defects and impurities in hexagonal boron nitride. Physical Review B. (97):1-13.
2017
Cattan D, Birnir B.  2017.  Numerical Analysis of Fluvial Landscapes. Mathematical Geosciences.
2016
Leonard JT, Yonkee BP, Cohen DA, Megalini L, Lee S, Speck JS, DenBaars SP, Nakamura S.  2016.  Nonpolar III-nitride vertical-cavity surface-emitting laser with a photoelectrochemically etched air-gap aperture. Applied Physics Letters. 108:031111.
2015
Patel SN, Su GM, Luo C, Wang M, Perez LA, Fischer DA, Prendergast D, Bazan GC, Heeger AJ, Chabinyc ML et al..  2015.  NEXAFS Spectroscopy Reveals the Molecular Orientation in Blade-Coated Pyridal [2, 1, 3] thiadiazole-Containing Conjugated Polymer Thin Films. Macromolecules.
Miao M-S, Van de Walle CG.  2015.  Nitride-based high-electron-mobility transistor with single-layer InN for mobility-enhanced channel. Applied Physics Express. 8:024302.
Zimmermann NER, Vorselaars B, Quigley D, Peters B.  2015.  Nucleation of NaCl from aqueous solution: Critical sizes, ion-attachment kinetics, and rates. Journal of the American Chemical Society. 137:13352–13361.
2014
Douglas JE, Chater PA, Brown CM, Pollock TM, Seshadri R.  2014.  Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn. Journal of Applied Physics. 116:163514.
Agarwal V, Peters B.  2014.  Nucleation near the eutectic point in a Potts-lattice gas model. The Journal of Chemical Physics. 140:084111.
Bezzola A, Bales BB, Petzold LR, Alkire RC.  2014.  Numerical Scaling Studies of Kinetically-Limited Electrochemical Nucleation and Growth with Accelerated Stochastic Simulations. Journal of The Electrochemical Society. 161:E3001–E3008.
2013
Choi M, Janotti A, Van de Walle CG.  2013.  Native point defects and dangling bonds in alpha-Al2O3. Journal of Applied Physics. 113(4):44501.
Choi M, Janotti A, Van de Walle CG.  2013.  Native point defects in LaAlO3 : A hybrid functional study. Phys. Rev. B. 88:214117.
Carroll IThomas.  2013.  Niche theory and the persistence of populations: applications to competitive communities and an infectious disease.
Jiang H-C, Block MS, Mishmash RV, Garrison JR, Sheng D.N, Motrunich OI, Fisher MPA.  2013.  Non-Fermi-liquid d-wave metal phase of strongly interacting electrons. Nature. 493:39-44.
Mester Z, Lynd NA, Fredrickson GH.  2013.  Numerical self-consistent field theory of multicomponent polymer blends in the Gibbs ensemble. Soft Matter. 9:11288–11294.
2012
Pho TV, Yuen JD, Kurzman JA, Smith BG, Miao M, Walker WT, Seshadri R, Wudl F.  2012.  N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors. Journal of the American Chemical Society. 134(44):18185–18188.
Hwang J, Zhang JY, Son J, Stemmer S.  2012.  Nanoscale quantification of octahedral tilts in perovskite films. Applied Physics Letters. 100:191909.
2011
Weber J.R, Janotti A., Van de Walle C.G.  2011.  Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.
Kurzman JA, Moffitt SL, Llobet A, Seshadria R.  2011.  Neutron diffraction study of La4LiAuO8: Understanding Au3+ in an oxide environment. Journal of Solid State Chemistry. 184:1439.
Bleiholder C., Wyttenbach T., Bowers M.T.  2011.  A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom. -:inpress.
2008
Jho Y.S, Kim M.W, Pincus P.A, Brown F.LH.  2008.  A numerical study of the electrostatic properties of two finite-width charged dielectric slabs in water. J. Chem. Phys.. 129:134511.
2007
Graham N..  2007.  Numerical Simulation of an Electroweak Oscillon. Physical Review D. 76:85017.
2006
Janotti A., Van de Walle C.G.  2006.  New insights into the role of native point defects in ZnO. Journal of Crystal Growth. 287:58-65.

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

 

We acknowledge support from the Center for Scientific Computing from the CNSI, MRL: an NSF MRSEC (DMR-1720256) and NSF CNS-1725797.

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