Selected Publications

2017

A unified description of ordering in HCP Mg-RE alloys
Natarajan, A. R., & Van der Ven, A. (2017). A unified description of ordering in HCP Mg-RE alloys. Acta Materialia, 124, 620\textendash632. https://doi.org/10.1016/j.actamat.2016.10.057 (Original work published 02/2017 C.E.)
Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations
Stock, P., Monroe, J. I., Utzig, T., Smith, D. J., Shell, S., & Valtiner, M. (2017). Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations. Acs Nano, 11, 2586\textendash2597. https://doi.org/10.1021/acsnano.6b06360 (Original work published 03/2017 C.E.)
Which is the Stronger Nucleophile, Platinum or Nitrogen in Rollover Cycloplatinated (II) Complexes?
Hosseini, F. N., Nabavizadeh, M., & Abu-Omar, M. M. (2017). Which is the Stronger Nucleophile, Platinum or Nitrogen in Rollover Cycloplatinated (II) Complexes?. Inorganic Chemistry, 56, 14706\textendash14713. (Original work published 11/2017 C.E.)

2016

Adhesion and detachment of a capsule in axisymmetric flow
Keh, M. P., & Leal, L. G. (2016). Adhesion and detachment of a capsule in axisymmetric flow. Physical Review Fluids, 1, 013201. https://doi.org/10.1103/PhysRevFluids.1.013201 (Original work published 05/2016 C.E.)
Aggregation of Chameleon Peptides: Implications of $\alpha$-Helicity in Fibril Formation
Kim, B., Do, T. D., Hayden, E. Y., Teplow, D. B., Bowers, M. T., & Shea, J. -E. (2016). Aggregation of Chameleon Peptides: Implications of $\alpha$-Helicity in Fibril Formation. Journal Of Physical Chemistry B, 120, 5874-5883. https://doi.org/10.1021/acs.jpcb.6b00830 (Original work published 07/2016 C.E.)
Amyloid $\beta$-Protein C-terminal Fragments: Formation of Cylindrins and $\beta$-barrels
Do, T. D., LaPointe, N. E., Nelson, R., Krotee, P., Hayden, E. Y., Ulrich, B., et al. (2016). Amyloid $\beta$-Protein C-terminal Fragments: Formation of Cylindrins and $\beta$-barrels. Journal Of The American Chemical Society, 138, 549\textendash557. https://doi.org/10.1021/jacs.5b09536 (Original work published 01/2016 C.E.)
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
Wong, A. G., Wu, C., Hannaberry, E., Watson, M. D., Shea, J. -E., & Raleigh, D. P. (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\textendash518. https://doi.org/10.1021/acs.biochem.5b01107 (Original work published 01/2016 C.E.)
Band alignments between SmTiO3, GdTiO3, and SrTiO3
Bjaalie, L., Azcatl, A., McDonnell, S., Freeze, C. R., Stemmer, S., Wallace, R. M., & Van de Walle, C. G. (2016). Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal Of Vacuum Science \& Technology A, 34, 061102. https://doi.org/10.1116/1.4963833 (Original work published 11/2016 C.E.)
BaSnO3 as a channel material in perovskite oxide heterostructures
Krishnaswamy, K., Bjaalie, L., Himmetoglu, B., Janotti, A., Gordon, L., & Van de Walle, C. G. (2016). BaSnO3 as a channel material in perovskite oxide heterostructures. Applied Physics Letters, 108, 083501. https://doi.org/10.1063/1.4942366 (Original work published 02/2016 C.E.)
Computational analysis of fitness landscapes and evolutionary networks from in vitro evolution experiments
Xulvi-Brunet, R., Campbell, G. W., Rajamani, S., enez, J. \ e I. J. \, & Chen, I. A. (2016). Computational analysis of fitness landscapes and evolutionary networks from in vitro evolution experiments. Methods, 106, 86-96. https://doi.org/10.1016/j.ymeth.2016.05.012 (Original work published 08/2016 C.E.)
Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides
Dreyer, C. E., Janotti, A., Van de Walle, C. G., & Vanderbilt, D. (2016). Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides. Physical Review X, 6, 021038. https://doi.org/10.1103/PhysRevX.6.021038 (Original work published 06/2016 C.E.)
Critical length of a one-dimensional nucleus
Joswiak, M. N., Doherty, M. F., & Peters, B. (2016). Critical length of a one-dimensional nucleus. Journal Of Chemical Physics, 145, 6. https://doi.org/10.1063/1.4962448 (Original work published 12/2016 C.E.)
Cyclic Solvent Annealing Improves Feature Orientation in Block Copolymer Thin Films
Paradiso, S. P., Delaney, K. T., ia-Cervera, C. J. G. \ \, Ceniceros, H. D., & Fredrickson, G. H. (2016). Cyclic Solvent Annealing Improves Feature Orientation in Block Copolymer Thin Films. Macromolecules, 49, 1743\textendash1751. https://doi.org/10.1021/acs.macromol.5b02107 (Original work published 03/2016 C.E.)
Defects in AlN as candidates for solid-state qubits
Varley, J. B., Janotti, A., & Van de Walle, C. G. (2016). Defects in AlN as candidates for solid-state qubits. Physical Review B, 93, 161201. https://doi.org/10.1103/PhysRevB.93.161201 (Original work published 04/2016 C.E.)
Directed self-assembly of diblock copolymers in multi-VIA configurations: effect of chemopatterned substrates on defectivity
Carpenter, C. L., Delaney, K. T., & Fredrickson, G. H. (2016). Directed self-assembly of diblock copolymers in multi-VIA configurations: effect of chemopatterned substrates on defectivity (Vol. 9779, p. 97791E). International Society for Optics and Photonics. https://doi.org/10.1117/12.2218644 (Original work published 03/2016 C.E.)
On the Distribution of Worker Productivity: The Case of Teacher Effectiveness and Student Achievement
Goldhaber, D., & Startz, R. (2016). On the Distribution of Worker Productivity: The Case of Teacher Effectiveness and Student Achievement. Statistics And Public Policy, 4. https://doi.org/10.1080/2330443X.2016.1271733 (Original work published 12/2016 C.E.)
Donor defects and small polarons on the TiO2 (110) surface
Moses, P. G., Janotti, A., Franchini, C., Kresse, G., & Van de Walle, C. G. (2016). Donor defects and small polarons on the TiO2 (110) surface. Journal Of Applied Physics, 119, 181503. https://doi.org/10.1063/1.4948239 (Original work published 05/2016 C.E.)
Dwarf nova outbursts with magnetorotational turbulence
Coleman, M. S. B., 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\textendash3726. https://doi.org/10.1093/mnras/stw1908 (Original work published 08/2016 C.E.)
Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3
Fabini, D. H., Laurita, G., Bechtel, J. S., Stoumpos, C. C., Evans, H. A., Kontos, A. G., et al. (2016). Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3. Journal Of The American Chemical Society, 138, 11820\textendash11832. https://doi.org/10.1021/jacs.6b06287 (Original work published 09/2016 C.E.)
Effect of chiral 2-ethylhexyl side chains on chiroptical properties of the narrow bandgap conjugated polymers PCPDTBT and PCDTPT
Fronk, S. L., Wang, M., Ford, M., Coughlin, J., Mai, C. -K., & Bazan, G. C. (2016). Effect of chiral 2-ethylhexyl side chains on chiroptical properties of the narrow bandgap conjugated polymers PCPDTBT and PCDTPT. Chemical Science, 7, 5313-5321. https://doi.org/10.1039/C6SC00908E (Original work published 08/2016 C.E.)