Publications

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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.
Hammetter CIan.  2014.  Designing pyramidal lattice structures for energy absorption.
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.
Watson MC, Brandt EG, Welch PM, Brown FLH.  2012.  Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett. 109:28102.
Kleckner D, Irvine WTM, Oemrawsingh SSR, Bouwmeester D.  2010.  Diffraction-limited high-finesse optical cavities. Physical Review A. 81(4):043814.
Camley BA, Brown FLH.  2013.  Diffusion of complex objects embedded in free and supported lipid bilayer membranes: role of shape anisotropy and leaflet structure. Soft Matter. 9:4767–4779.
Chen R, Lee SB, Balents L.  2013.  Dimer Mott Insulator in an Oxide Heterostructure. Phys. Rev. B. 87:161119.
Bleiholder C, Dupuis NF, Bowers MThomas.  2013.  Dimerization of Chirally Mutated Enkephalin Neurotransmitters: Implications for Peptide and Protein Aggregation Mechanisms. The Journal of Physical Chemistry B. 117:1770.
Pereira JClayston M, Iretskii AV, Han R-M, Ford PC.  2014.  Dinitrosyl Iron Complexes with Cysteine. Kinetics Studies of the Formation and Reactions of DNICs in Aqueous Solution. Journal of the American Chemical Society.
Carpenter CL, Delaney KT, Laachi N, Fredrickson GH.  2015.  Directed self-assembly of diblock copolymers in cylindrical confinement: effect of underfilling and air-polymer interactions on configurations. SPIE Advanced Lithography.
Carpenter CL, Delaney KT, Fredrickson GH.  2016.  Directed self-assembly of diblock copolymers in multi-VIA configurations: effect of chemopatterned substrates on defectivity. Proc. SPIE 9779, Advances in Patterning Materials and Processes XXXIII. 9779:97791E.
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.
Gordon L, Miao M-S, Chowdhury S, Higashiwaki M, Mishra UK, Van de Walle CG.  2010.  Distributed surface donor states and the two-dimensional electron gas at AlGaN/GaN heterojunctions. Journal of Physics D. 43:505501.

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