Publications

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Meynell SA, McLellan CA, Hughes LB, Mates T, Mukherjee K, Jayich ACBleszyns, .  2020.  Engineering quantum-coherent defects: the role of substrate miscut in chemical vapor deposition diamond growth. arXiv preprint arXiv:2005.05866.
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.
Agarwal V, Metiu H.  2016.  Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution. Journal of Physical Chemistry C. 120(4):2320-2323.
Bechtel JS, Seshadri R, Van der Ven A.  2016.  Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal of Physical Chemistry C. 120(23):12403-12410.
Kioupakis E., Rinke P., Janotti A., Yan Q., Van de Walle C.G..  2013.  Energy Conversion: Solid-State Lighting. Energy Conversion: Solid-State Lighting, in Computational Approaches to Energy Materials (eds A. Walsh, A. A. Sokol and C. R. A. Catlow).
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.
Sherck N, Webber T, Brown DRobinson, Keller T, Barry M, DeStefano A, Jiao S, Segalman RA, Fredrickson GH, M Shell S et al..  2020.  End-to-End Distance Probability Distributions of Dilute Poly (ethylene oxide) in Aqueous Solution. Journal of the American Chemical Society.
Esponda I, Vespa E.  2018.  Endogenous sample selection: A laboratory study. Quantitative Economics. 9:183–216.
Keselman A, Bauer B, Xu C, Jian C-M.  2019.  Emergent Fermi surface in a triangular-lattice SU (4) quantum antiferromagnet. arXiv preprint arXiv:1912.01025.
Kim S, Pochitaloff M, Stooke-Vaughan G, CampÀs O.  2020.  Embryonic Tissues as Active Foams. bioRxiv.
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.
Sidhu IS, Frischknecht AL, Atzberger PJ.  2018.  Electrostatics of Particle Confinement within Nanochannels: Role of.
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
Rondinelli JM, Spaldin NA.  2010.  Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO3/SrTiO3 superlattices. Phys. Rev. B. 81:85109.
Chrétien S, Metiu H.  2011.  The electronic structure of the partially reduced rutile TiO2(110) surface: where are the unpaired electrons located? J. Phys. Chem.. 115:4696.
Segev D., Van de Walle C.G.  2006.  Electronic structure of nitride surfaces. Journal of Crystal Growth, First International Symposium on Growth of Nitrides - ISGN-1. 300:199-203.
Miao M.S, Yan Q.M, Van de Walle C.G..  2013.  Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.
Lehner AJ, Wang H, Fabini DH, Liman CD, Hébert C-A, Perry EE, Wang M, Bazan GC, Chabinyc ML, Seshadri R.  2015.  Electronic structure and photovoltaic application of BiI3. Applied Physics Letters. 107:131109.
Rondinelli J.M, Caffrey N.M, Sanvito S., Spaldin N.A.  2008.  Electronic properties of bulk and thin film SrRuO3: a search for the metal-insulator transition. Phys. Rev. B. 78:155107.
Tong H, Umezawa N, Ye J, Ohno T.  2011.  Electronic coupling assembly of semiconductor nanocrystals: self-narrowed band gap to promise solar energy utilization. Energy Environ. Sci. 4:1684.
Zhu Z, Peelaers H, Van de Walle CG.  2017.  Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.
Miao M-S, Botana J, Zurek E, Hu T, Liu J, Yang W.  2016.  Electron counting and a large family of two-dimensional semiconductors. Chemistry of Materials. 28:1994–1999.
Wang F, Echlin MLP, Taylor AA, Shin J, Bammes B, DA Levin B, De Graef M, Pollock TM, Gianola DS.  2020.  Electron backscattered diffraction using a new monolithic direct detector: High resolution and fast acquisition. Ultramicroscopy. :113160.
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.
Iyer PP, Pendharkar M, Schuller JA.  2016.  Electrically Reconfigurable Metasurfaces Using Heterojunction Resonators. Advanced Optical Materials.

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