Publications

Found 355 results
Author Title [ Type(Asc)] Year
Journal Article
Janotti A, Franchini C, Varley JB, Kresse G, Van de Walle CG.  2013.  Dual behavior of excess electrons in rutile TiO2. physica status solidi (RRL)-Rapid Research Letters. doi: 10.1002/pssr.201206464
Larini L, Shea J-E.  2013.  Double Resolution Model for Studying TMAO/Water Effective Interactions. The Journal of Physical Chemistry B. 117:13268–13277.
Bellesia G, Shea J-E.  2009.  Diversity of kinetic pathways in amyloid fibril formation. J. Chem. Phys.. 131:111102.
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.
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.
Chen R, Lee SB, Balents L.  2013.  Dimer Mott Insulator in an Oxide Heterostructure. Phys. Rev. B. 87:161119.
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.
Watson MC, Brandt EG, Welch PM, Brown FLH.  2012.  Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett. 109:28102.
Kioupakis E, Rinke P, Van de Walle CG.  2010.  Determination of Internal Loss in Nitride Lasers from First Principles. Applied Physics Express. 3:82101.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
Weber J.R, Janotti A., Van de Walle C.G.  2013.  Dangling bonds and vacancies in germanium. Phys. Rev. B. 87(3):35203.
Zhang R., Brown F.LH.  2008.  Cytoskeleton mediated effective elastic properties of model red blood cell membranes. J. Chem. Phys.. 129:65101.
Kahn K., Granovsky A.A, Noga J..  2007.  Convergence of third order correlation energy in atoms and molecules. Journal of Computational Chemistry. 28:547-554.
Khanna V., Cochran E.W, Hexemer A., Stein G.E, Fredrickson G.H, Kramer E.J, Hahn S.F, Li X., Wang J..  2006.  Controlling the near surface orientation of block copolymer lamellae and cylinders using chain architecture and surface energy. PMSE Preprints. 95:41äóñ42.
Janotti A, Bjaalie L, Gordon L, Van de Walle CG.  2012.  Controlling the density of the two-dimensional electron gas at the SrTiO3-LaAlO3 interface. Phys. Rev. B. 86(24):241108.
Van de Walle C.G, Lyons J.L, Janotti A..  2010.  Controlling the conductivity of InN. physica status solidi (a). 207:1024.

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