Publications

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Conference Proceedings
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.
Journal Article
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.
Monroe JI, M Shell S.  2019.  Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models. The Journal of chemical physics. 151:094501.
Romanova M, Vlcek V.  2020.  Decomposition and embedding in the stochastic GW self-energy. The Journal of Chemical Physics. 153:134103.
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.
Xuan Y, Delaney KT, Ceniceros HD, Fredrickson GH.  2020.  Deep Learning and Self-Consistent Field Theory to Accelerate Polymer Phase Discovery.
Cárdenas LÁngel Lar, Gibou F.  2020.  A Deep Learning Approach for the Computation of Curvature in the Level-Set Method. arXiv preprint arXiv:2002.02804.
Hateley JC, Roberts J, Mylonakis K, Yang X.  2020.  Deep learning seismic substructure detection using the Frozen Gaussian approximation. Journal of Computational Physics. 409:109313.
Tsang BT-H, Schultz WC.  2019.  Deep Neural Network Classifier for Variable Stars with Novelty Detection Capability. The Astrophysical Journal Letters. 877:L14.
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.
Gripaios B., Sutherland D..  2018.   DEFT: A program for operators in EFT. arXiv. :1-21.
Park S, Barnes R, Lin Y, Jeon B-jin, Najafi S, Delaney KT, Fredrickson GH, Shea J-E, Hwang DSoo, Han S.  2020.  Dehydration entropy drives liquid-liquid phase separation by molecular crowding. Communications Chemistry. 3:1–12.
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.
Su Y, Xu S, Beyerlein IJ.  2019.  Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals. Journal of Applied Physics. 126:105112.

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