Publications

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Ding Z, Pascal E, De Graef M.  2020.  Indexing of electron back-scatter diffraction patterns using a convolutional neural network. Acta Materialia. 199:370–382.
Kioupakis E, Rinke P, Delaney KT, Van de Walle CG.  2011.  Indirect Auger recombination as a cause of efficiency droop in nitride LEDs. Appl. Phys. Lett.. 98:161107.
BJ, Jr D, M S, LR P, A. S.  2015.  Inferring single-cell gene expression mechanisms using stochastic simulation.. Bioinformatics. 31(9):1428-1435.
Rowberg AJE, Krishnaswamy K, Van de Walle CG.  2020.  Inflection points in the conduction-band structure of BaSn O 3. Physical Review B. 102:115201.
Baumketner A., Shea J.-E..  2005.  The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides. J. Phys. Chem. B. 109:21322.
Holland CC, McMeeking RM.  2015.  The influence of mechanical and microstructural properties on the rate-dependent fracture strength of ceramics in uniaxial compression. International Journal of Impact Engineering. 81:34–49.
Larini L, Gessel MMurray, LaPointe NE, Do TD, Bowers M, Feinstein SC, Shea J-E.  2013.  Initiation of Assembly of Tau(273-284) and its DK280 Mutant: An Experimental and Computational Study. Phys. Chem. Chem. Phys.. 15:8916-8928.
Miao M, Botana J, Pravica M, Sneed D, Park C.  2017.  Inner-shell chemistry under high pressure. Japanese Journal of Applied Physics. 56:05FA10.
Barel I, Reich NO, Brown FLH.  2019.  Integrated rate laws for processive and distributive enzymatic turnover. The Journal of chemical physics. 150:244120.
Kristoffersen HH, Metiu H.  2016.  Interaction between Monomeric Vanadium Oxide Clusters Supported on Titania and Its Influence on Their Reactivity. Journal of Physical Chemistry C. 120(25)
Gonzalez-Juez E.D, Meiburg E., . E, Constantinescu S.G.  2009.  The interaction of a gravity current with a circular cylinder mounted above a wall: Effect of the gap size. J. Fluid Struct.. 25:629-640.
Do TD, Economou NJ, Chamas A, Buratto SK, Shea J-E, Bowers MT.  2014.  Interactions between Amyloid-$\beta$ and Tau Fragments Promote Aberrant Aggregates: Implications for Amyloid Toxicity. The Journal of Physical Chemistry B. 118:11220–11230.
Ismer L, Park MSik, Janotti A, Van de Walle CG.  2009.  Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory.. Phys. Rev. B. 80:184110.
Himmetoglu B, Janotti A, Bjaalie L, Van de Walle CG.  2014.  Interband and polaronic excitations in YTiO 3 from first principles. Physical Review B. 90:161102.
Eggeler YM, Levin EE, Wang F, Kitchaev DA, Van der Ven A, Seshadri R, Pollock TM, Gianola DS.  2020.  Interfacial structure and strain accommodation in two-phase Nb Co 1.2 Sn Heusler intermetallics. Physical Review Materials. 4:093601.
Kim Y, Dellabetta B, Gilbert MJ.  2012.  Interlayer transport in disordered semiconductor electron bilayers. Journal of Physics: Condensed Matter. 24(35):355301.
Sayre JD, Delaney KT, Spaldin NA.  2012.  Interplay between strain and oxygen vacancies in lanthanum aluminate. arXiv.org.
Kioupakis E, Yan Q, Van de Walle CG.  2012.  Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes. Applied Physics Letters. 101(23):231107-231107.
Siebenhuhner F, Weiss SA, Coppola R, Weinberger DR, Bassett DS.  2013.  Intra-and Inter-Frequency Brain Network Structure in Health and Schizophrenia. PLoS ONE. 8(8)
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.
Turner TL, Miller PM.  2012.  Investigating Natural Variation in Drosophila Courtship Song by the Evolve and Resequence Approach. Genetics. 191:633.
Singh N, Upham DC, Liu R-F, Burk JJames, Economou NJohn, Buratto SK, Metiu H, McFarland EW.  2014.  Investigation of the active sites of rhodium sulfide for hydrogen evolution/oxidation using carbon monoxide as a probe. Langmuir.
Karmis A.A.  2012.  Investigations of phase instabilities and many-body physics in charge-stabilized colloidal dispersions. ProQuest Dissertations and Theses. 199
Joswiak MN, Doherty MF, Peters B.  2018.  Ion dissolution mechanism and kinetics at kink sites on NaCl surfaces. Proceedings of the National Academy of Sciences. :201713452.
Bleiholder C, Do TD, Wu C, Economou NJ, Bernstein SS, Buratto SK, Shea J-E, Bowers MT.  2013.  Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25–35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol. Journal of the American Chemical Society. 135:16926–16937.

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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.

 

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