Publications

Journal Article
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.
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.
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.
Kang Y, Van de Walle CG.  2017.  Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.
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.
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.
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.
Brown F.LH.  2008.  Elastic Modeling of Biomembranes and Lipid Bilayers. Annual Review of Physical Chemistry. 59:685-712.
Su Y, Ardeljan M, Knezevic M, Jain M, Pathak S, Beyerlein IJ.  2020.  Elastic constants of pure body-centered cubic Mg in nanolaminates. Computational Materials Science. 174:109501.
Fratus KR, Srednicki M.  2015.  Eigenstate thermalization in systems with spontaneously broken symmetry. Physical Review E. 92:040103.
Levi AE, Fu L, Lequieu J, Horne JD, Blankenship J, Mukherjee S, Zhang T, Fredrickson GH, Gutekunst WR, Bates CM.  2020.  Efficient Synthesis of Asymmetric Miktoarm Star Polymers. Macromolecules.
García-Cervera C.J.  2007.  An Efficient Real Space Method for Orbital-Free Density-Functional Theory. Comm. Comp. Phys.. 2 (2):334-357.
Villet MC, Fredrickson GH.  2014.  Efficient field-theoretic simulation of polymer solutions. The Journal of chemical physics. 141:224115.
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.
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.
Friedel M., Baumketner A., Shea J.-E..  2006.  Effects of surface tethering on protein folding mechanisms. Proc. Nat. Acad. Sci. USA. 103:8396-8401.
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.
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.
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.
Wei G., Shea J.-E.  2006.  Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.
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.
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.
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.

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