Publications

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Journal Article
Joswiak MN, Doherty MF, Peters B.  2016.  Critical length of a one-dimensional nucleus. Journal of Chemical Physics. 145(21):6.
Lehner AJ, Fabini DH, Evans HA, Hébert C-A, Smock SR, Hu J, Wang H, Zwanziger JW, Chabinyc ML, Seshadri R.  2015.  Crystal and Electronic Structures of Complex Bismuth Iodides A 3Bi2I9 (A= K, Rb, Cs) Related to Perovskite: Aiding the Rational Design of Photovoltaics. Chemistry of Materials. 27:7137–7148.
Knappschneider A, Litterscheid C, Kurzman JA, Seshadri R, Albert B.  2011.  Crystal structure refinement and bonding patterns of CrB4: a boron-rich boride with a framework of tetrahedrally coordinated B atoms.. Inorganic Chemistry. 50(21):10540–10542.
Paradiso SP, Delaney KT, García-Cervera CJ, Ceniceros HD, Fredrickson GH.  2016.  Cyclic Solvent Annealing Improves Feature Orientation in Block Copolymer Thin Films. Macromolecules. 49(5):1743–1751.
Zhang R., Brown F.LH.  2008.  Cytoskeleton mediated effective elastic properties of model red blood cell membranes. J. Chem. Phys.. 129:65101.
Weber J.R, Janotti A., Van de Walle C.G.  2013.  Dangling bonds and vacancies in germanium. Phys. Rev. B. 87(3):35203.
Weber J.R, Janotti A., Rinke P., Van de Walle C.G.  2007.  Dangling-bond defects and hydrogen passivation in germanium. Appl. Phys. Lett.. 91:142101.
Das T, Schuller JA.  2017.  Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams. Physical Review B. 95:201111.
Pho TV, Toma FM, de Villers BJTremolet, Wang S, Treat ND, Eisenmenger ND, Su GM, Coffin RC, Douglas JD, Fréchet JMJ et al..  2013.  Decacyclene Triimides: Paving the Road to Universal Non-Fullerene Acceptors for Organic Photovoltaics. Advanced Energy Materials.
Hoang K., Janotti A., Van de Walle C.G.  2012.  Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate. Phys. Chem. Chem. Phys.. 14:2840.
Lyons JL, Alkauskas A, Janotti A, Van de Walle CG.  2017.  Deep donor state of the copper acceptor as a source of green luminescence in ZnO. Applied Physics Letters. 111:042101.
Takahashi H., Laachi N., Delaney K.T, Hur S.-M., Weinheimer C.J, Shykind D., Fredrickson G.H.  2012.  Defectivity in Laterally Confined Lamella-Forming Diblock Copolymers: Thermodynamic and Kinetic Aspects.. Macromolecules. 45:6253.
Bosse A.W, Sides S.W, Katsov K, García-Cervera C.J, Fredrickson G.H.  2006.  Defects and their removal in block copolymer thin film simulations. Journal of polymer science. Part B, Polymer physics. -44:2495.
Gordon L, Janotti A, Van de Walle CG.  2015.  Defects as qubits in 3 C- and 4 H- SiC. Physical Review B. 92:045208.
Van de Walle C.G., Choi M., Weber J.R., Lyons J.L., Janotti A..  2013.  Defects at Ge/oxide and IIIäóñV/oxide interfaces. Microelectronic Engineering. 109:211.
Varley JB, Janotti A, Van de Walle CG.  2016.  Defects in AlN as candidates for solid-state qubits. Physical Review B. 93:161201.
Weber J.R, Koehl W.F, Varley J.B, Janotti A., Bucley B.B, Van de Walle C.G., Awschalom D.D.  2011.  Defects in SiC for quantum computing. J. Appl. Phys.. 109:102417.
Susa AC, Wu C, Bernstein SL, Dupuis NF, Wang H, Raleigh DP, Shea J-E, Bowers MT.  2014.  Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions. Journal of the American Chemical Society.
Chrétien S., Metiu H..  2006.  Density functional study of the CO oxydation on a doped rutile TiO2(110): effects of ionic Au in catalysis. Catal. Lett.. 107:143.
Carroll IT, Nisbet RM.  2015.  Departures from neutrality induced by niche and relative fitness differences. Theoretical Ecology. :1–17.
Liu X, Sun Y, Hsu BBY, Lorbach A, Qi L, Heeger AJ, Bazan GC.  2014.  Design and Properties of Intermediate-Sized Narrow Band-Gap Conjugated Molecules Relevant to Solution-Processed Organic Solar Cells. Journal of the American Chemical Society. 136:5697–5708.
Chen H, Zhang L.  2015.  A Desulfonylative Approach in Oxidative Gold Catalysis: Regiospecific Access to Donor-Substituted Acyl Gold Carbenes. Angewandte Chemie. 127:11941–11945.
Levine ZA, Venable RM, Watson MC, Lerner MG, Shea J-E, Pastor RW, Brown FLH.  2014.  Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations. Journal of the American Chemical Society. 136:13582–13585.
Kioupakis E, Rinke P, Van de Walle CG.  2010.  Determination of Internal Loss in Nitride Lasers from First Principles. Applied Physics Express. 3:82101.
Bjaalie L, Verma A, Himmetoglu B, Janotti A, Raghavan S, Protasenko V, Steenbergen EH, Jena D, Stemmer S, Van de Walle CG.  2015.  Determination of the Mott-Hubbard gap in GdTiO 3. Physical Review B. 92:085111.

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