Publications
On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.
.
2013. Striped, Ellipsoidal Particles by Controlled Assembly of Diblock Copolymers. Journal of the American Chemical Society. 135(17):6649.
.
2013. Strong correlation induced charge localization in antiferromagnets. Scientific Reports. 3
.
2013. Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3. Physical Review B. 88:174426.
.
2013. Structural origins of the properties of rare earth nickelate superlattices. Phys. Rev. B. 87(6):60101.
.
2013. Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. PLoS computational biology. 9:e1003211.
.
2013. A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells.. Physical Chemistry Chemical Physics. 15:18894–18899.
.
2013. Subspace Fluid Re-Simulation. Proceedings of ACM SIGGRAPH. (in press)
.
2013. Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical review letters. 110:256401.
.
2013. Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal of Physics. 15:125006.
.
2013. Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. arXiv preprint arXiv:1307.0829.
.
2013. Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal of chemical physics. 139:084706.
.
2013. Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3. Physical Review Letters. 111:266101.
.
2013. Three-Dimensional Vorticity Configurations in Miscible Hele-Shaw Displacements. Procedia IUTAM. 7:203–212.
.
2013. Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir. 29:480.
.
2013. Vortex lattices in the superconducting phases of doped topological insulators and heterostructures. Physical Review B. 87(3):35401.
.
2013. Weak coordination of neutral S-and O-donor proximal ligands to a ferrous porphyrin nitrosyl. Characterization of 6-coordinate complexes at low T. Journal of Inorganic Biochemistry. 121:129.
.
2013. Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics. The Journal of Physical Chemistry C. 118:27721–27727.
.
2014. Absolute surface energies of polar and nonpolar planes of GaN. Phys. Rev. B. 89:081305.
.
2014. Acid-Base Interaction and Its Role in Alkane Dissociative Chemisorption on Oxide Surfaces. J. Phys. Chem. C. 118:27336-27342.
.
2014. Asymmetric Gold-Catalyzed Lactonizations in Water at Room Temperature. Angewandte Chemie International Edition. 53:10658–10662.
.
2014. Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
.
2014. Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.
.
2014. Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
.
2014. Carbon as a Shallow Donor in Transparent Conducting Oxides. Physical Review Applied. 2:064005.
.
2014.