Publications

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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.
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.
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.
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.
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.
F
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.
Friedel M., Baumketner A., Shea J.-E..  2006.  Effects of surface tethering on protein folding mechanisms. Proc. Nat. Acad. Sci. USA. 103:8396-8401.
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.
Frostad JM, Walter J, Leal LG.  2013.  A scaling relation for the capillary-pressure driven drainage of thin films. Physics of Fluids (1994-present). 25:052108.
Frumkin JA, Doherty MF.  2018.  Target bounds on reaction selectivity via Feinberg's CFSTR equivalence principle. AIChE Journal. 64:926–939.
Fu J, Wu S, Li H, Petzold LR.  2014.  The Time Dependent Propensity Function for Acceleration of Spatial Stochastic Simulation of Reaction-Diffusion Systems. Journal of Computational Physics.

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