Publications

Export 675 results:
2017
Bocarsly JD, Levin EE, Garcia CAC, Schwennicke K, Wilson SD, Seshadri R.  2017.  A Simple Computational Proxy for Screening Magnetocaloric Compounds. Chemistry of Materials. 29:1613–1622.
Radin MD, Van der Ven A.  2017.  Simulating Charge, Spin, and Orbital Ordering: Application to Jahn–Teller Distortions in Layered Transition-Metal Oxides. Chemistry of Materials. 30:607–618.
Levine ZA, Shea J-E.  2017.  Simulations of disordered proteins and systems with conformational heterogeneity. Current Opinion in Structural Biology. 43:95–103.
Kristoffersen HH, Neilson HL, Buratto SK, Metiu H.  2017.  Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms. The Journal of Physical Chemistry C. 121:8444–8451.
Song X-Y, Jian C-M, Balents L.  2017.  Strongly correlated metal built from sachdev-ye-kitaev models. Physical review letters. 119:216601.
Peelaers H, Van de Walle CG.  2017.  Sub-band-gap absorption in Ga2O3. Applied Physics Letters. 111:182104.
Carpenter CL, Delaney KT, Fredrickson GH.  2017.  Suppression of thermal fluctuation placement errors in linear arrays of block copolymer cylinders. Advances in Patterning Materials and Processes XXXIV.
Butakov NA, Valmianski I, Lewi T, Urban C, Ren Z, Mikhailovsky AA, Wilson SD, Schuller IK, Schuller JA.  2017.  Switchable Plasmonic–Dielectric Resonators with Metal–Insulator Transitions. ACS Photonics.
McDearmon B, Lim E, O'Hara K, Nakayama H, Luo Y, Chabinyc ML, Hawker CJ.  2017.  Synthesis of a versatile pentacyclic building block for organic electronics. Journal of Polymer Science Part A: Polymer Chemistry. 55:2618–2628.
Delaney KT, Fredrickson GH.  2017.  Theory of polyelectrolyte complexation—Complex coacervates are self-coacervates. The Journal of Chemical Physics. 146:224902.
Levin EE, Bocarsly JD, Wyckoff KE, Pollock TM, Seshadri R.  2017.  Tuning the magnetocaloric response in half-Heusler/Heusler MnNi 1+ x Sb solid solutions. Physical Review Materials. 1:075003.
Iyer PP, Pendharkar M, Palmstrøm CJ, Schuller JA.  2017.  Ultrawide thermal free-carrier tuning of dielectric antennas coupled to epsilon-near-zero substrates. Nature communications. 8:472.
Lewi T, Evans HA, Butakov NA, Schuller JA.  2017.  Ultrawide Thermo-Optic Tuning of PbTe Meta-atoms. Nano Letters.
Lewi T, Evans HA, Butakov NA, Schuller JA.  2017.  Ultrawide thermo-optic tuning of PbTe meta-atoms. Nano letters. 17:3940–3945.
Natarajan ARaju, Van der Ven A.  2017.  A unified description of ordering in HCP Mg-RE alloys. Acta Materialia. 124:620–632.
Stock P, Monroe JI, Utzig T, Smith DJ, M Shell S, Valtiner M.  2017.  Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations. ACS nano. 11:2586–2597.
Hosseini FNiroomand, S Nabavizadeh M, Abu-Omar MM.  2017.  Which is the Stronger Nucleophile, Platinum or Nitrogen in Rollover Cycloplatinated (II) Complexes? Inorganic chemistry. 56:14706–14713.
2016
Keh MP, Leal LG.  2016.  Adhesion and detachment of a capsule in axisymmetric flow. Physical Review Fluids. 1(1):013201.
Kim B, Do TD, Hayden EY, Teplow DB, Bowers MT, Shea J-E.  2016.  Aggregation of Chameleon Peptides: Implications of $\alpha$-Helicity in Fibril Formation. Journal of Physical Chemistry B. 120(26):5874-5883.
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.

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