Publications

Journal Article
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.
Kim Y, Dellabetta B, Gilbert MJ.  2012.  Interlayer transport in disordered semiconductor electron bilayers. Journal of Physics: Condensed Matter. 24(35):355301.
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.
Bousquet E, Spaldin N.  2010.  J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
Liu P., Custodio S., Archuleta R.J.  2006.  Kinematic Inversion of the 2004 Mw 6.0 Parkfield Earthquake. Bulletin of the Seismological Society of America. 96:Jan-37.
Peter EK, Pivkin IV, Shea J-E.  2015.  A kMC-MD method with generalized move-sets for the simulation of folding of $\alpha$-helical and $\beta$-stranded peptides. The Journal of chemical physics. 142:144903.
Peelaers H, Van de Walle CG.  2017.  Lack of quantum confinement in Ga 2 O 3 nanolayers. Physical Review B. 96:081409.
Hejazi K, Liu C, Balents L.  2019.  Landau levels in twisted bilayer graphene and semiclassical orbits. arXiv preprint arXiv:1903.11563.
Artyukhin S, Delaney KT, Spaldin NA, Mostovoy M.  2013.  Landau theory of topological defects in multiferroic hexagonal manganites. Nature Materials.
M Ramirez D, Pairett AN, M Pankey S, Serb JM, Speiser DI, Swafford AJ, Oakley TH.  2016.  The last common ancestor of bilaterian animals possessed at least 7 opsins. Genome Biology and Evolution . 8(12):052902.
Janotti A, Van de Walle CG.  2011.  LDA and hybrid functional calculations for defects in ZnO, SnO2, and TiO2. Physica Status Solidi (b). 248:799.
Liu EE, Gang C, Zeller M, Fabini DH, Oertel CM.  2017.  Ligand-Induced Variations in Symmetry and Structural Dimensionality of Lead Oxide Carboxylates. Crystal Growth & Design. 17:1574–1582.
Hoang K, Van de Walle CG.  2013.  LiH as a Li+ and H- ion provider. Solid State Ionics. 253:53–56.
Wang M, Ford MJ, Zhou C, Seifrid M, Nguyen T-Q, Bazan GC.  2017.  Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors. Journal of the American Chemical Society. 139:17624–17631.
Wang X, Vallurupalli P, Vu A, Lee K, Sun S, Bai W-J, Wu C, Zhou H, Shea J-E, Kay LE et al..  2014.  The linker between the dimerization and catalytic domains of the CheA histidine kinase propagates changes in structure and dynamics that are important for enzymatic activity. Biochemistry. 53:855–861.
Natarajan ARaju, Van der Ven A.  2020.  Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys. arXiv preprint arXiv:2001.06912.
Su GM, Pho TV, Eisenmenger ND, Wang C, Wudl F, Kramer EJ, Chabinyc ML.  2014.  Linking morphology and performance of organic solar cells based on decacyclene triimide acceptors. Journal of Materials Chemistry A. 2:1781–1789.

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