Publications

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2018
Gripaios B., Sutherland D..  2018.   DEFT: A program for operators in EFT. arXiv. :1-21.
Garrison JR, Grover T.  2018.  Does a single eigenstate encode the full Hamiltonian? Physical Review X. 8:021026.
2017
Das T, Schuller JA.  2017.  Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams. Physical Review B. 95:201111.
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.
Huang D, Pintus P, Zhang C, Morton P, Shoji Y, Mizumoto T, Bowers JE.  2017.  Dynamically reconfigurable integrated optical circulators. Optica. 4:23–30.
2016
Varley JB, Janotti A, Van de Walle CG.  2016.  Defects in AlN as candidates for solid-state qubits. Physical Review B. 93:161201.
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.
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)
Moses PG, Janotti A, Franchini C, Kresse G, Van de Walle CG.  2016.  Donor defects and small polarons on the TiO2 (110) surface. Journal of Applied Physics. 119:181503.
Coleman MSB, Kotko I, Blaes O, Lasota J-P, Hirose S.  2016.  Dwarf nova outbursts with magnetorotational turbulence. Monthly Notices of the Royal Astronomical Society. 462:3710–3726.
Fabini DH, Laurita G, Bechtel JS, Stoumpos CC, Evans HA, Kontos AG, Raptis YS, Falaras P, Van der Ven A, Kanatzidis MG et al..  2016.  Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3. Journal of the American Chemical Society. 138:11820–11832.
2015
Gordon L, Janotti A, Van de Walle CG.  2015.  Defects as qubits in 3 C- and 4 H- SiC. Physical Review B. 92:045208.
Carroll IT, Nisbet RM.  2015.  Departures from neutrality induced by niche and relative fitness differences. Theoretical Ecology. :1–17.
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.
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.
Carpenter CL, Delaney KT, Laachi N, Fredrickson GH.  2015.  Directed self-assembly of diblock copolymers in cylindrical confinement: effect of underfilling and air-polymer interactions on configurations. SPIE Advanced Lithography.
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.
2014
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.
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.
Hammetter CIan.  2014.  Designing pyramidal lattice structures for energy absorption.
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.
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.
2013
Weber J.R, Janotti A., Van de Walle C.G.  2013.  Dangling bonds and vacancies in germanium. Phys. Rev. B. 87(3):35203.
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.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

 

We acknowledge support from the Center for Scientific Computing from the CNSI, MRL: an NSF MRSEC (DMR-1720256) and NSF CNS-1725797.

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