Publications

Journal Article
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.
Gripaios B., Sutherland D..  2018.   DEFT: A program for operators in EFT. arXiv. :1-21.
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.
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.
Seifrid MT, Manjunatha-Reddy G.N, Zhou C, Chmelka BF, Bazan GC.  2019.  Direct Observation of the Relationship between Molecular Topology and Bulk Morphology for a π-Conjugated Material. Journal of the American Chemical Society. 141(13):5078-5082.
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.
Goldhaber D, Startz R.  2016.  On the Distribution of Worker Productivity: The Case of Teacher Effectiveness and Student Achievement. Statistics and Public Policy. 4(1)

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