Publications

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Lee JHee, Delaney KT, Bousquet E, Spaldin NA, Rabe KM.  2013.  Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3. Physical Review B. 88:174426.
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.
Larini L, Shea J-E.  2013.  Double Resolution Model for Studying TMAO/Water Effective Interactions. The Journal of Physical Chemistry B. 117:13268–13277.
Landstrom EB, Handa S, Aue DH, Gallou F, Lipshutz BH.  2018.  EvanPhos: a ligand for ppm level Pd-catalyzed Suzuki–Miyaura couplings in either organic solvent or water. Green Chemistry. (15):3436-3443.
Lamontagne LK, Laurita G, Knight M, Yusuf H, Hu J, Seshadri R, Page K.  2017.  The Role of Structural and Compositional Heterogeneities in the Insulator-to-Metal Transition in Hole-Doped APd3O4 (A= Ca, Sr). Inorganic Chemistry. 56:5158–5164.
Lamontagne LK, Laurita G, Gaultois MW, Knight M, Ghadbeigi L, Sparks TD, Gruner ME, Pentcheva R, Brown CM, Seshadri R.  2016.  High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2. Chemistry of Materials. 28(10):3367-3373.
Lai H-H, Hung H-H.  2014.  Effects of short-ranged interactions on the Kane-Mele model without discrete particle-hole symmetry. Physical Review B. 89:165135.
Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2013.  The hole shrink problem: Theoretical studies of directed self-assembly in cylindrical confinement. SPIE Advanced Lithography.
Laachi N, Iwama T, Delaney KT, Kim BJ, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2015.  Effects of thermal fluctuations on directed self-assembly in cylindrical confinement. Journal of Micro/Nanolithography, MEMS, and MOEMS. 14(1):013505.
Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2014.  Self-consistent field theory investigation of directed self-assembly in cylindrical confinement. Journal of Polymer Science Part B: Polymer Physics.
Laachi N, Iwama T, Delaney KT, Shykind D, Weinheimer CJ, Fredrickson GH.  2015.  Directed self-assembly of linear arrays of block copolymer cylinders. Journal of Polymer Science Part B: Polymer Physics. 53(5):317–326.
Laachi N, Iwama T, Delaney KT, Shykind D, Weinheimer CJ, Fredrickson GH.  2015.  Directed self-assembly of linear arrays of block copolymer cylinders. Journal of Polymer Science Part B: Polymer Physics. 53(5):317–326.
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Kurzman JA, Miao M-S, Seshadri R.  2011.  Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.
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.
Kulkarni PM, Fu C-C, M Shell S, L Leal G.  2013.  Multiscale modeling with smoothed dissipative particle dynamics. The Journal of chemical physics. 138:234105.
Kristoffersen HH, Metiu H.  2015.  Molten LiCl Layer Supported on MgO: Its Possible Role in Enhancing the Oxidative Dehydrogenation of Ethane. The Journal of Physical Chemistry C. 119:8681–8691.
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)
Kristoffersen HH, Metiu H.  2016.  Structure of V2O5· n H2O Xerogels. The Journal of Physical Chemistry C. 120:3986–3992.
Kristoffersen HH, Metiu H.  2015.  Reconstruction of Low-Index $\alpha$-V2O5 Surfaces. The Journal of Physical Chemistry C.
Kristoffersen HH, Neilson HL, Buratto SK, Metiu H.  2017.  Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms. The Journal of Physical Chemistry C. 121:8444–8451.
Kristoffersen HH, Metiu H.  2016.  Structure and Oxidizing Power of Single Layer $\alpha$-V2O5. Topics in Catalysis. 59:809–816.
Kristoffersen HH, Shea J-E, Metiu H.  2015.  Catechol and HCl Adsorption on TiO2 (110) in Vacuum and at the Water–TiO2 Interface. The journal of physical chemistry letters. 6:2277–2281.
Krishnaswamy K, Bjaalie L, Himmetoglu B, Janotti A, Gordon L, Van de Walle CG.  2016.  BaSnO3 as a channel material in perovskite oxide heterostructures. Applied Physics Letters. 108(8):083501.
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.
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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