Publications

Journal Article
Knappschneider A, Litterscheid C, Brgoch J, George NC, Henke S, Cheetham AK, Hu JG, Seshadri R, Albert B.  2015.  Manganese Tetraboride, MnB4: High-Temperature Crystal Structure, p–n Transition, 55Mn NMR Spectroscopy, Solid Solutions, and Mechanical Properties. Chemistry-A European Journal. 21:8177–8181.
Radin MD, Vinckeviciute J, Seshadri R, Van der Ven A.  2019.  Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials. Nature Energy. :1.
Ishizuka H, Balents L.  2014.  Magnetism in S= 1/2 double perovskites with strong spin-orbit interactions. Physical Review B. 90:184422.
Zhang JY, Jackson CA, Raghavan S, Hwang J, Stemmer S.  2013.  Magnetism and local structure in low-dimensional Mott insulating GdTiO 3. Physical Review B. 88:121104.
Natarajan ARaju, Van der Ven A.  2019.  Machine-learning the configurational energy of multicomponent crystalline solids. npj Computational Materials. 4:56.
Brgoch J, Gaultois MW, Balasubramanian M, Page K, Hong B-C, Seshadri R.  2014.  Local structure and structural rigidity of the green phosphor $\beta$-SiAlON: Eu2+. Applied Physics Letters. 105:181904.
George NC, Pell AJ, Dantelle G, Page K, Llobet A, Balasubramanian M, Pintacuda G, Chmelka BF, Seshadri R.  2013.  Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3–x Ce x Al5O12. Chemistry of Materials. 25:3979–3995.
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.
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.
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.
Hoang K, Van de Walle CG.  2013.  LiH as a Li+ and H- ion provider. Solid State Ionics. 253:53–56.
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.
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.
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.
Artyukhin S, Delaney KT, Spaldin NA, Mostovoy M.  2013.  Landau theory of topological defects in multiferroic hexagonal manganites. Nature Materials.
Hejazi K, Liu C, Balents L.  2019.  Landau levels in twisted bilayer graphene and semiclassical orbits. arXiv preprint arXiv:1903.11563.
Peelaers H, Van de Walle CG.  2017.  Lack of quantum confinement in Ga 2 O 3 nanolayers. Physical Review B. 96:081409.
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.
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.
Bousquet E, Spaldin N.  2010.  J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
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.
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.
Karmis A.A.  2012.  Investigations of phase instabilities and many-body physics in charge-stabilized colloidal dispersions. ProQuest Dissertations and Theses. 199
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.
Turner TL, Miller PM.  2012.  Investigating Natural Variation in Drosophila Courtship Song by the Evolve and Resequence Approach. Genetics. 191:633.

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