Publications

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Dickinson BC, Leconte AM, Allen B, Esvelt KM, Liu DR.  2013.  Experimental interrogation of the path dependence and stochasticity of protein evolution using phage-assisted continuous evolution. Proceedings of the National Academy of Sciences. 110:9007–9012.
Do TD, LaPointe NE, Economou NJ, Buratto SK, Feinstein SC, Shea J-E, Bowers MT.  2013.  Effects of pH and Charge State on Peptide Assembly: the YVIFL Model System. Journal of Physical Chemistry B. 117(13):10768.
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.
Do TD, LaPointe NE, Sangwan S, Teplow DB, Feinstein SC, Sawaya MR, Eisenberg D, Bowers MThomas.  2014.  Factors that Drive Peptide Assembly from Native to Amyloid Structures: Experimental and Theoretical Analysis of [Leu-5]-Enkephalin Mutants. The Journal of Physical Chemistry B.
Do TD, Economou NJ, Chamas A, Buratto SK, Shea J-E, Bowers MT.  2014.  Interactions between Amyloid-$\beta$ and Tau Fragments Promote Aberrant Aggregates: Implications for Amyloid Toxicity. The Journal of Physical Chemistry B. 118:11220–11230.
Do TD, Chamas A, Zheng X, Barnes A, Chang D, Veldstra T, Takhar H, Dressler N, Trapp B, Miller K et al..  2015.  Elucidation of the Aggregation Pathways of Helix–Turn–Helix Peptides: Stabilization at the Turn Region Is Critical for Fibril Formation. Biochemistry. 54:4050–4062.
Douglas JE, Chater PA, Brown CM, Pollock TM, Seshadri R.  2014.  Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn. Journal of Applied Physics. 116:163514.
Douglas JE, Birkel CS, Verma N, Miller VM, Miao M-S, Stucky GD, Pollock TM, Seshadri R.  2014.   Phase stability and property evolution of biphasic Ti–Ni–Sn alloys for use in thermoelectric applications. Journal of Applied Physics. 115:043720–043720.
Douglas J.E, Birkel C.S, Miao M.-S., Torbet C.J, Stucky G.D, Pollock T.M, Seshadri R..  2012.  Enhanced thermoelectric properties of bulk TiNiSn via formation of TiNi2Sn secondary phase. Applied Physics Letters. 101(18):183902.
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.
Dreyer C.E, Janotti A., Van de Walle C.G.  2013.  Effects of strain on the electron effective mass in GaN and AlN. Appl. Phys. Lett.. 102:142105.
Dreyer CE, Lyons JL, Janotti A, Van de Walle CG.  2014.  Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
Dreyer CE, Janotti A, Van de Walle CG.  2015.  Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations. Applied Physics Letters. 106:212103.
Dreyer C.E, Janotti A., Van de Walle C.G.  2014.  Absolute surface energies of polar and nonpolar planes of GaN. Phys. Rev. B. 89:081305.
Düchs D, Delaney KT, Fredrickson GH.  2014.  A Multi-Species Exchange Model for Fully Fluctuating Polymer Field Theory Simulations. Journal of Chemical Physics. 141(17):174103.
Duff N, Dahal YRaj, Schmit JD, Peters B.  2014.  Salting out the polar polymorph: Analysis by alchemical solvent transformation. Journal of Chemical Physics. 140(1):014501.
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Eisenmenger ND, Delaney KT, Ganesan V, Fredrickson GH, Chabinyc ML.  2015.  Energy Transfer Directly to Bilayer Interfaces to Improve Exciton Collection in Organic Photovoltaics. Journal of Physical Chemistry C. 119(33):19011–19021.
Eisenmenger ND, Su GM, Welch GC, Takacs CJ, Bazan GC, Kramera EJ, Chabinyc ML.  2013.  Effect of bridging atom identity on the morphological behavior of solution-processed small molecule bulk heterojunction photovoltaics. Chem. Mater.. (in press)
Eschmann NA, Georgieva ER, Ganguly P, Borbat PP, Rappaport MD, Akdogan Y, Freed JH, Shea J-E, Han S.  2017.  Signature of an aggregation-prone conformation of tau. Scientific Reports. 7:44739.
Estrada Z, Gilbert MJ.  2012.  Electron-phonon interactions in double layer graphene superfluids. Illinois Digital Environment for Access to Learning and Scholarship. http://hdl.handle.net/2142/34248
Estrada Z.J., Dellabetta B., Ravaioli U., Gilbert M.J..  2012.  Phonon-Limited Transport in Graphene Pseudospintronic Devices. Electron Device Letters, IEEE. 33:1465-1467.
Evans HA, Lehner AJ, Labram JG, Fabini DH, Barreda O, Smock SR, Wu G, Chabinyc ML, Seshadri R, Wudl F.  2016.  (TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures. Chemistry of Materials. 28:3607-3611.
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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.
Fratus KR, Srednicki M.  2015.  Eigenstate thermalization in systems with spontaneously broken symmetry. Physical Review E. 92:040103.
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.

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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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