Publications

2015
Miao M-S, Hoffmann R.  2015.  High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms. Journal of the American Chemical Society. 137:3631–3637.
Chen M-H, Puchala B, Van der Ven A.  2015.  High-temperature stability of $δ$′-ZrO. Calphad. 51:292–298.
Petsev ND, L Leal G, M Shell S.  2015.  Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics. The Journal of Chemical Physics. 142:044101.
Butakov NA, Schuller JA.  2015.  Hybrid optical antennas with photonic resistors. Optics Express. 23:29698.
Agarwal V, Metiu H.  2015.  Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and $\alpha$-Quartz Doped with Al, Sc, B, or Ga. The Journal of Physical Chemistry C. 119:16106–16114.
Chrétien S, Metiu H.  2015.  Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid–Base Interactions. The Journal of Physical Chemistry C.
Peelaers H, Krishnaswamy K, Gordon L, Steiauf D, Sarwe A, Janotti A, Van de Walle CG.  2015.  Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.
J Pro W, Lim RKwei, Petzold LR, Utz M, Begley MR.  2015.  The impact of stochastic microstructures on the macroscopic fracture properties of brick and mortar composites. Extreme Mechanics Letters.
Peelaers H, Steiauf D, Varley JB, Janotti A, Van de Walle CG.  2015.  (In x Ga 1- x) 2 O 3 alloys for transparent electronics. Physical Review B. 92:085206.
BJ, Jr D, M S, LR P, A. S.  2015.  Inferring single-cell gene expression mechanisms using stochastic simulation.. Bioinformatics. 31(9):1428-1435.
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.
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.
Zamanidoost E, Klachko M, Strukov D, Kataeva I.  2015.  Low area overhead in-situ training approach for memristor-based classifier. Nanoscale Architectures (NANOARCH), 2015 IEEE/ACM International Symposium on.
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.
Zamanidoost E, Bayat FM, Strukov D, Kataeva I.  2015.  Manhattan rule training for memristive crossbar circuit pattern classifiers. Intelligent Signal Processing (WISP), 2015 IEEE 9th International Symposium on.
Swolfs Y, McMeeking RM, Verpoest I, Gorbatikh L.  2015.  Matrix cracks around fibre breaks and their effect on stress redistribution and failure development in unidirectional composites. Composites Science and Technology. 108:16–22.
Schmidt BVKJ, Elbert J, Scheid D, Hawker CJ, Klinger D, Gallei M.  2015.  Metallopolymer-Based Shape Anisotropic Nanoparticles. ACS Macro Letters. 4:731–735.
Suen JY, Fang MT, Denny SP, Lubin PM.  2015.  Modeling of Terabit Geostationary Terahertz Satellite Links From Globally Dry Locations. Terahertz Science and Technology, IEEE Transactions on. 5:299–313.
Liu X, Burgers MA, Hsu BBY, Coughlin JE, Perez LA, Heeger AJ, Bazan GC.  2015.  Molecular orientation within thin films of isomorphic molecular semiconductors. RSC Advances. 5:89144–89148.
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.
Britto S, Leskes M, Hua X, Hébert C-A, Shin HSuk, Clarke S, Borkiewicz O, Chapman KW, Seshadri R, Cho J et al..  2015.  Multiple Redox Modes in the Reversible Lithiation of High-Capacity, Peierls-Distorted Vanadium Sulfide. Journal of the American Chemical Society. 137:8499–8508.
Ganguly P, Hajari T, Shea J-E, van der Vegt NFA.  2015.  Mutual Exclusion of Urea and Trimethylamine N-oxide from Amino Acids in Mixed Solvent Environment. The Journal of Physical Chemistry Letters. 6:581–585.
Patel SN, Su GM, Luo C, Wang M, Perez LA, Fischer DA, Prendergast D, Bazan GC, Heeger AJ, Chabinyc ML et al..  2015.  NEXAFS Spectroscopy Reveals the Molecular Orientation in Blade-Coated Pyridal [2, 1, 3] thiadiazole-Containing Conjugated Polymer Thin Films. Macromolecules.
Miao M-S, Van de Walle CG.  2015.  Nitride-based high-electron-mobility transistor with single-layer InN for mobility-enhanced channel. Applied Physics Express. 8:024302.
Zimmermann NER, Vorselaars B, Quigley D, Peters B.  2015.  Nucleation of NaCl from aqueous solution: Critical sizes, ion-attachment kinetics, and rates. Journal of the American Chemical Society. 137:13352–13361.

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