Publications

Journal Article
Misch LM, Brgoch J, Birkel A, Mates TE, Stucky GD, Seshadri R.  2014.  Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.
Agarwal V, Metiu H.  2019.  Rates of adsorption and desorption: Entropic contributions and errors due to mean-field approximations. The Journal of chemical physics. 150:184702.
Huang C, Kristoffersen HH, Gong X-Q, Metiu H.  2016.  Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes. Journal of Physical Chemistry C. 120(9):4931–4936.
Corr SA, Shoemaker DP, Melot BC, Seshadri R.  2010.  Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO{\_}2. Physical Review Letters. 105:056404.
Delaney KT, Fredrickson GH.  2016.  Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions. Journal of Physical Chemistry B. 120(31):7615-7634.
Iyer PP, Butakov NA, Schuller JA.  2015.  Reconfigurable Semiconductor Phased-Array Metasurfaces. ACS Photonics.
Kristoffersen HH, Metiu H.  2015.  Reconstruction of Low-Index $\alpha$-V2O5 Surfaces. The Journal of Physical Chemistry C.
Mikhnenko OV, Collins SD, Nguyen T-Q.  2015.  Rectifying Electrical Noise with an Ionic-Organic Ratchet. Advanced Materials. 27:2007–2012.
Goiri J.G, Van der Ven A..  2018.  Recursive alloy Hamiltonian construction and its application to the Ni-Al-Cr system. Acta Materialia.
Umezawa N., Sato M., Shiraishi K..  2008.  Reduction in charged defects associated with oxygen vacancies in hafnia by magnesium incorporation: First-principles study. Appl. Phys. Lett.. 93:223104.
Baird B, Cieslak M, Smallwood J, Grafton ST, Schooler JW.  2014.  Regional White Matter Variation Associated with Domain-specific Metacognitive Accuracy.
Levine ZA, Larini L, LaPointe NE, Feinstein SC, Shea J-E.  2015.  Regulation and aggregation of intrinsically disordered peptides. Proceedings of the National Academy of Sciences. 112:2758–2763.
Vannozzi C.  2012.  Relaxation and coalescence of two equal-sized viscous drops in a quiescent matrix. J. Fluid Mech.. 694:408.
Takacs CJ, Treat ND, Krämer S, Chen Z, Facchetti A, Chabinyc ML, Heeger AJ.  2013.  Remarkable Order of a High-Performance Polymer. Nano Letters. 13(6):2522–2527.
Bradley D, Conklin E, Papastamatiou YP, McCauley DJ, Pollock K, Pollock A, Kendall BE, Gaines SD, Caselle JE.  2017.  Resetting predator baselines in coral reef ecosystems. Scientific Reports. 7
Shoemaker DP, Llobet A, Tachibana M, Seshadri R.  2011.  Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.
Cogley T, Startz R.  2012.  Robust Estimation of ARMA Models with Near Root Cancellation. submitted.
Umezawa N, Ye J.  2012.  Role of complex defects in photocatalytic activities of nitrogen-doped anatase TiO(2).. Physical Chemistry Chemical Physics. 14:5924–34.
Klemenz S, Hay AK, Teicher SML, Topp A, Cano J, Schoop LM.  2020.  The role of delocalized chemical bonding in square-net-based topological semimetals. Journal of the American Chemical Society.
Van de Walle C.G., Weber J.R., Janotti A..  2008.  Role of hydrogen at germanium/dielectric interfaces. Thin Solid Films. Volume 517, Issue 1, Fifth International Conference on Silicon Epitaxy and Heterostructures (ICSI-5):144-147.
Yan Q, Janotti A, Scheffler M, de Walle V, G C.  2012.  Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters. 100:142110.
Wang W, Janotti A, Van de Walle CG.  2016.  Role of oxygen vacancies in crystalline WO 3. Journal of Materials Chemistry C.
Janotti A., Van de Walle C.G..  2011.  The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2. Microelectronic Engineering. 88(7):1452-1456.
Varley J.B, Janotti A., Franchini C., Van de Walle C.G.  2012.  Role of self-trapping in luminescence and p-type conductivity of wide-band-gap oxides. Phys. Rev. B. 85:81109.
Lyons J.L, Janotti A., Van de Walle C.G.  2009.  Role of Si and Ge as impurities in ZnO. Phys. Rev. B. 80:205113.

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