Publications

Journal Article
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.
Tsang BT-H, Schultz WC.  2019.  Deep Neural Network Classifier for Variable Stars with Novelty Detection Capability. The Astrophysical Journal Letters. 877:L14.
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.
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.
Xuan Y, Delaney KT, Ceniceros HD, Fredrickson GH.  2020.  Deep Learning and Self-Consistent Field Theory to Accelerate Polymer Phase Discovery.
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.
Romanova M, Vlcek V.  2020.  Decomposition and embedding in the stochastic GW self-energy. The Journal of Chemical Physics. 153:134103.
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.
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.
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.
Ortiz BR, Teicher SML, Hu Y, Zuo JL, Sarte PM, Schueller EC, Abeykoon AMMilinda, Krogstad MJ, Rosenkranz S, Osborn R et al..  2020.  Cs V 3 Sb 5: A Z 2 Topological Kagome Metal with a Superconducting Ground State. Physical Review Letters. 125:247002.
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.

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