Publications

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Janotti A., Jalan B., Stemmer S., Van de Walle C.G.  2012.  Effects of doping on the lattice parameter of SrTiO3. Appl. Phys. Lett.. 100:262104.
Griffin M., Friedel M., Shea J.E..  2005.  Effects of frustration, confinement, and surface interactions on the dimerization of an off-lattice beta-barrel protein. J. Chem. Phys.. 123:174707.
Lyons JL, Janotti A, Van de Walle CG.  2014.  Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal of Applied Physics. 115:012014.
McBride PM, Yan Q, Van de Walle CG.  2014.  Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters. 105:083507.
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.
Lai H-H, Hung H-H.  2014.  Effects of short-ranged interactions on the Kane-Mele model without discrete particle-hole symmetry. Physical Review B. 89:165135.
Wei G., Shea J.-E.  2006.  Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.
Yan Q, Rinke P, Janotti A, Scheffler M, Van de Walle CG.  2014.  Effects of strain on the band structure of group-III nitrides. Physical Review B. 90:125118.
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.
Chen M-H, Thomas JC, Natarajan ARaju, Van der Ven A.  2016.  Effects of strain on the stability of tetragonal ZrO 2. Physical Review B. 94(5):054108.
Friedel M., Baumketner A., Shea J.-E..  2006.  Effects of surface tethering on protein folding mechanisms. Proc. Nat. Acad. Sci. USA. 103:8396-8401.
Laachi N, Iwama T, Delaney KT, Kim BJ, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2015.  Effects of thermal fluctuations on directed self-assembly in cylindrical confinement. Journal of Micro/Nanolithography, MEMS, and MOEMS. 14(1):013505.
Rossol MN, Rajan VP, Zok FW.  2015.  Effects of weave architecture on mechanical response of 2D ceramic composites. Composites Part A: Applied Science and Manufacturing. 74:141–152.
Villet MC, Fredrickson GH.  2014.  Efficient field-theoretic simulation of polymer solutions. The Journal of chemical physics. 141:224115.
García-Cervera C.J.  2007.  An Efficient Real Space Method for Orbital-Free Density-Functional Theory. Comm. Comp. Phys.. 2 (2):334-357.
Fratus KR, Srednicki M.  2015.  Eigenstate thermalization in systems with spontaneously broken symmetry. Physical Review E. 92:040103.
Brown F.LH.  2008.  Elastic Modeling of Biomembranes and Lipid Bilayers. Annual Review of Physical Chemistry. 59:685-712.
Rajan VP, Shaw JH, Rossol MN, Zok FW.  2014.  An elastic–plastic constitutive model for ceramic composite laminates. Composites Part A: Applied Science and Manufacturing. 66:44–57.
Choudhury D., Hazarika A., Venimadhav A., Kakarla C., Delaney KT.  2010.  Electric and magnetic polarizabilities of hexagonal Ln2CuTiO6 (Ln=Y, Dy, Ho, Er and Yb). Phys. Rev. B 82, 134203 (2010). 82:134203.
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.
Huang D., Pintus P., Zhang C., Shoji Y., Mizumoto T., Bowers J..  2016.  Electrically Driven and Thermally Tunable Integrated Optical Isolators for Silicon Photonics. IEEE Journal of Selected Topics in Quantum Electronics. 22(6):4403408.
Iyer PP, Pendharkar M, Schuller JA.  2016.  Electrically Reconfigurable Metasurfaces Using Heterojunction Resonators. Advanced Optical Materials.
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.
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.
Zhu Z, Peelaers H, Van de Walle CG.  2017.  Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.

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