Publications

Export 605 results:
2016
Do TD, LaPointe NE, Nelson R, Krotee P, Hayden EY, Ulrich B, Quan S, Feinstein SC, Teplow DB, Eisenberg D et al..  2016.  Amyloid $\beta$-Protein C-terminal Fragments: Formation of Cylindrins and $\beta$-barrels. Journal of the American Chemical Society. 138:549–557.
Wong AG, Wu C, Hannaberry E, Watson MD, Shea J-E, Raleigh DP.  2016.  Analysis of the Amyloidogenic Potential of Pufferfish (Takifugu rubripes) Islet Amyloid Polypeptide Highlights the Limitations of Thioflavin-T Assays and the Difficulties in Defining Amyloidogenicity. Biochemistry. 55:510–518.
Bjaalie L, Azcatl A, McDonnell S, Freeze CR, Stemmer S, Wallace RM, Van de Walle CG.  2016.  Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.
Krishnaswamy K, Bjaalie L, Himmetoglu B, Janotti A, Gordon L, Van de Walle CG.  2016.  BaSnO3 as a channel material in perovskite oxide heterostructures. Applied Physics Letters. 108(8):083501.
Xulvi-Brunet R, Campbell GW, Rajamani S, Jiménez JI, Chen IA.  2016.  Computational analysis of fitness landscapes and evolutionary networks from in vitro evolution experiments. Methods. 106:86-96.
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.
Joswiak MN, Doherty MF, Peters B.  2016.  Critical length of a one-dimensional nucleus. Journal of Chemical Physics. 145(21):6.
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.
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.
Fronk SL, Wang M, Ford M, Coughlin J, Mai C-K, Bazan GC.  2016.  Effect of chiral 2-ethylhexyl side chains on chiroptical properties of the narrow bandgap conjugated polymers PCPDTBT and PCDTPT. Chemical Science. 7(8):5313-5321.
Chen M-H, Thomas JC, Natarajan ARaju, Van der Ven A.  2016.  Effects of strain on the stability of tetragonal ZrO 2. Physical Review B. 94(5):054108.
Huang D., Pintus P., Zhang C., Shoji Y., Mizumoto T., Bowers J..  2016.  Electrically Driven and Thermally Tunable Integrated Optical Isolators for Silicon Photonics. IEEE Journal of Selected Topics in Quantum Electronics. 22(6):4403408.
Iyer PP, Pendharkar M, Schuller JA.  2016.  Electrically Reconfigurable Metasurfaces Using Heterojunction Resonators. Advanced Optical Materials.
Freysoldt C, Lange B, Neugebauer J, Yan Q, Lyons JL, Janotti A, Van de Walle CG.  2016.  Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B. 93:165206.
Miao M-S, Botana J, Zurek E, Hu T, Liu J, Yang W.  2016.  Electron counting and a large family of two-dimensional semiconductors. Chemistry of Materials. 28:1994–1999.
Bechtel JS, Seshadri R, Van der Ven A.  2016.  Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal of Physical Chemistry C. 120(23):12403-12410.
Agarwal V, Metiu H.  2016.  Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution. Journal of Physical Chemistry C. 120(4):2320-2323.
Li W, Delaney KT, Fredrickson GH.  2016.  Fddd network phase in ABA triblock copolymer melts. Journal of Polymer Science Part B: Polymer Physics. 54:1112–1117.
Tsai CL, Delaney KT, Fredrickson GH.  2016.  Genetic Algorithm for Discovery of Globally Stable Phases in Block Copolymers. Macromolecules. 49(17):6558–6567.
Lamontagne LK, Laurita G, Gaultois MW, Knight M, Ghadbeigi L, Sparks TD, Gruner ME, Pentcheva R, Brown CM, Seshadri R.  2016.  High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2. Chemistry of Materials. 28(10):3367-3373.

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Acknowledgements

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

Braid / Guild

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

Knot

We acknowledge support from the Center for Scientific Computing from the CNSI, MRL: an NSF MRSEC (DMR-1720256) and NSF CNS-0960316.

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