Publications

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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.
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.
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.
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.
Pischedda A, Cochrane VA, Cochrane WG, Turner TL.  2014.  Genetic dissection of courtship song variation using the Drosophila Synthetic Population Resource. bioRxiv. :006643.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
Peelaers H, Chabinyc ML, Van de Walle CG.  2017.  Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
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, 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.
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, Van de Walle CG.  2017.  Lack of quantum confinement in Ga 2 O 3 nanolayers. Physical Review B. 96:081409.
Peelaers H, Van de Walle CG.  2015.  Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.
Peelaers H, Krishnaswamy K, Gordon L, Steiauf D, Sarwe A, Janotti A, Van de Walle CG.  2015.  Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

 

We acknowledge support from the Center for Scientific Computing from the CNSI, MRL: an NSF MRSEC (DMR-1720256) and NSF CNS-1725797.

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