Native point defects in LaAlO3 : A hybrid functional study. Phys. Rev. B. 88:214117.. 2013.
Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.. 2013.
Electric and magnetic polarizabilities of hexagonal Ln2CuTiO6 (Ln=Y, Dy, Ho, Er and Yb). Phys. Rev. B 82, 134203 (2010). 82:134203.. 2010.
Unusual dielectric response in B-site size-disordered hexagonal transition-metal oxides. Appl. Phys. Lett.. 96:162903.. 2010.
The electronic structure of the partially reduced rutile TiO2(110) surface: where are the unpaired electrons located? J. Phys. Chem.. 115:4696.. 2011.
Density functional study of the CO oxydation on a doped rutile TiO2(110): effects of ionic Au in catalysis. Catal. Lett.. 107:143.. 2006.
O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: The importance of spin conservation. J. Chem. Phys.. 129:74705.. 2008.
Catalysis by very small Au clusters. Current Opinion in Solid State and Materials Science. 11(5-6):62-75.. 2008.
Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules. J. Chem. Phys.. 128:44714.. 2008.
Oxygen Adsorption on Irreducible Oxides Doped with Higher Valence Ions: O2 Binding to the Dopant. The Journal of Physical Chemistry C.. 2014.
Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films. Phys. Rev. B. 83:144107.. 2011.
2004 Mw 6.0 Parkfield, California, earthquake: Inversion of Near-Source Ground Motion Using Different Datasets. Geophysical Research Letters. 32:L23312.. 2005.
Theoretical Study of Schottky-Barrier Formation at Epitaxial Rare-Earth-Metal/Semiconductor Interfaces. Phys. Rev. B. 81:165312.. 2010.
Superexchange-Driven Magnetoelectricity in Magnetic Vortices. Phys. Rev. Lett.. 102:157203.. 2009.
Polymer Field-Theory Simulations on Graphics Processing Units. Comp Phys Comm. (in press). 2013.
Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr x Ba2–x SiO4: Eu2+ Orthosilicate Phosphors. Chemistry of Materials. 26:2275–2282.. 2014.
A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting. Journal of Materials Chemistry. 22:18204.. 2012.
A parallel fast sweeping method for the Eikonal equation. Journal of Computational Physics. 237:46.. 2012.
Experimental interrogation of the path dependence and stochasticity of protein evolution using phage-assisted continuous evolution. Proceedings of the National Academy of Sciences. 110:9007–9012.. 2013.
Factors that Drive Peptide Assembly from Native to Amyloid Structures: Experimental and Theoretical Analysis of [Leu-5]-Enkephalin Mutants. The Journal of Physical Chemistry B.. 2014.
Effects of pH and Charge State on Peptide Assembly: The YVIFL Model System. The Journal of Physical Chemistry B. 117:10759–10768.. 2013.
Enhanced thermoelectric properties of bulk TiNiSn via formation of TiNi2Sn secondary phase. Appl. Phys. Lett.. 101:183902.. 2012.
Phase stability and property evolution of biphasic Ti–Ni–Sn alloys for use in thermoelectric applications. Journal of Applied Physics. 115:043720–043720.. 2014.
Absolute surface energies of polar and nonpolar planes of GaN. Phys. Rev. B. 89:081305.. 2014.