Publications

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Gripaios B., Sutherland D..  2018.   DEFT: A program for operators in EFT. arXiv. :1-21.
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.
Varley JB, Janotti A, Van de Walle CG.  2016.  Defects in AlN as candidates for solid-state qubits. Physical Review B. 93:161201.
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.
Gordon L, Janotti A, Van de Walle CG.  2015.  Defects as qubits in 3 C- and 4 H- SiC. Physical Review B. 92:045208.
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.
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.
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.
Das T, Schuller JA.  2017.  Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams. Physical Review B. 95:201111.
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.
C
Zhang R., Brown F.LH.  2008.  Cytoskeleton mediated effective elastic properties of model red blood cell membranes. J. Chem. Phys.. 129:65101.
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.
Heinze S.G, Natarajan A.R, Levi C.G, Van der Ven A..  2018.  Crystallography and substitution patterns in the ZrO2−YTaO4 system. Phyiscal Review Materials. 2(7):1-9.
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.
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.
Joswiak MN, Doherty MF, Peters B.  2016.  Critical length of a one-dimensional nucleus. Journal of Chemical Physics. 145(21):6.
Rhein RK, Callahan PG, Murray SP, Stinville J-C, Titus MS, Van der Ven A, Pollock TM.  2018.   Creep Behavior of Quinary γ′-Strengthened Co-Based Superalloys. Metallurgical and Materials Transactions A. :1-9.
Shi W, Hamilton AL, Delaney K, Fredrickson GH, Kramer EJ, Ntaras C, Avgeropoulos A, Lynd NA.  2015.  Creating extremely asymmetric lamellar structures via fluctuation-assisted unbinding of miktoarm star block copolymer alloys. Journal of the American Chemical Society.
Dreyer CE, Janotti A, Van de Walle CG, Vanderbilt D.  2016.  Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides. Physical Review X. 6(2):021038.
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.
Coleman MSB, Yerger E, Blaes O, Salvesen G, Hirose S.  2017.  Convective quenching of field reversals in accretion disc dynamos. Monthly Notices of the Royal Astronomical Society. 467:2625–2635.

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