Publications

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Peelaers H, Varley JB, Speck JS, Van de Walle CG.  2018.  Structural and electronic properties of Ga2O3-Al2O3 alloys. Applied Physics Letters. 112(24)
Peelaers H, Kioupakis E, Van de Walle CG.  2015.  Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B. 92:235201.
Peelaers H, Chabinyc ML, Van de Walle CG.  2017.  Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
Peelaers H, Van de Walle CG.  2017.  Sub-band-gap absorption in Ga2O3. Applied Physics Letters. 111:182104.
Peelaers H, Steiauf D, Varley JB, Janotti A, Van de Walle CG.  2015.  (In x Ga 1- x) 2 O 3 alloys for transparent electronics. Physical Review B. 92:085206.
Peles A., Janotti A., Van de Walle C.G.  2008.  Electrical activity of hydrogen impurities in GaSb: First-principles calculations. Phys. Rev. B. 78:35204.
Peles A., Van de Walle C.G..  2007.  Hydrogen-related defects in sodium alanate. Journal of Alloys and Compounds. Proceedings of the International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2006):446-447,459-461.
Penev E., Ireta J., Shea J.E..  2008.  Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. J Phys Chem B. 112:6872.
Peng Y, Xie S, Zheng Y, Brown FLH.  2009.  Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.
Pereira JClayston M, Iretskii AV, Han R-M, Ford PC.  2014.  Dinitrosyl Iron Complexes with Cysteine. Kinetics Studies of the Formation and Reactions of DNICs in Aqueous Solution. Journal of the American Chemical Society.
Peter EK, Pivkin IV, Shea J-E.  2015.  A kMC-MD method with generalized move-sets for the simulation of folding of $\alpha$-helical and $\beta$-stranded peptides. The Journal of chemical physics. 142:144903.
Peter EK, Agarwal M, Kim B, Pivkin IV, Shea J-E.  2014.  How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141:22D511.
Petsev ND, L Leal G, M Shell S.  2016.  Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics. Journal of Chemical Physics. 144(8):8.
Petsev ND, L Leal G, M Shell S.  2015.  Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics. The Journal of Chemical Physics. 142:044101.
Phan H, Kelly TJ, Zhugayevych A, Bazan GC, Nguyen T-Q, Jarvis EA, Tretiak S.  2019.  Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling. The journal of physical chemistry letters.
Pho TV, Yuen JD, Kurzman JA, Smith BG, Miao M, Walker WT, Seshadri R, Wudl F.  2012.  N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors. Journal of the American Chemical Society. 134(44):18185–18188.
Pho TV, Toma FM, de Villers BJTremolet, Wang S, Treat ND, Eisenmenger ND, Su GM, Coffin RC, Douglas JD, Fréchet JMJ et al..  2013.  Decacyclene Triimides: Paving the Road to Universal Non-Fullerene Acceptors for Organic Photovoltaics. Advanced Energy Materials.
Pilar K, Deng Z, Preefer MB, Cooley JA, Clément R, Seshadri R, Cheetham AK.  2019.  Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
Pintus P, Huang D, Zhang C, Shoji Y, Mizumoto T, Bowers JE.  2017.  Microring-based optical isolator and circulator with integrated electromagnet for silicon photonics. Journal of Lightwave Technology. 35:1429–1437.
Pintus P, Huang D, Zhang C, Shoji Y, Mizumoto T, Bowers JE.  2017.  Microring-based Optical Isolator and Circulator with Integrated Electromagnet for Silicon Photonics. Journal of Lightwave Technology.
Pischedda A, Cochrane VA, Cochrane WG, Turner TL.  2014.  Genetic dissection of courtship song variation using the Drosophila Synthetic Population Resource. bioRxiv. :006643.
Plunkett P, Camley BA, Weirich KL, Israelachvili J, Atzberger PJ.  2013.  Simulation of edge facilitated adsorption and critical concentration induced rupture of vesicles at a surface. Soft Matter. 9:8420–8427.
Pressman A, Moretti JE, Campbell GW, Müller UF, Chen IA.  2017.  Analysis of in vitro evolution reveals the underlying distribution of catalytic activity among random sequences. Nucleic acids research.
J Pro W, Lim RKwei, Petzold LR, Utz M, Begley MR.  2015.  GPU-based simulations of fracture in idealized brick and mortar composites. Journal of the Mechanics and Physics of Solids. 80:68–85.
J Pro W, Lim RKwei, Petzold LR, Utz M, Begley MR.  2015.  The impact of stochastic microstructures on the macroscopic fracture properties of brick and mortar composites. Extreme Mechanics Letters.

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