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.
A continuous Mott transition between a metal and a quantum spin liquid. arXiv preprint arXiv:1403.4258.. 2014.
Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.. 2014.
Caesium in high oxidation states and as a p-block element. Nature chemistry. 5:846–852.. 2013.
High Pressure Electrides: A Predictive Chemical and Physical Theory. Accounts of chemical research. 47:1311–1317.. 2014.
Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.. 2013.
Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.. 2012.
On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.. 2013.
Preface to special topic: A survey of some new developments in heterogeneous catalysis. J. Chem. Phys.. 128 (18):art.no.182501.. 2008.
Phase Coexistence Calculations of Reversibly Bonded Block Copolymers: A Unit Cell Gibbs Ensemble Approach. Macromolecules.. 2014.
Numerical self-consistent field theory of multicomponent polymer blends in the Gibbs ensemble. Soft Matter. 9:11288–11294.. 2013.
Catalysis by Doped Oxides. Chemical Reviews. in press. 2013.
Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters. 105:083507.. 2014.
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.
Coherent states formulation of polymer field theory. The Journal of chemical physics. 140:024905.. 2014.
Coherent States Formulation of Polymer Field Theory. http://arxiv.org/abs/1301.1357. (submitted). 2013.
Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys.. 52:08JJ04.. 2013.
Why nitrogen cannot lead to p-type conductivity in ZnO. Appl. Phys. Lett.. 95:252105.. 2009.
Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal of Applied Physics. 115:012014.. 2014.
Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors. Phys. Rev. Letters. 108:156403.. 2012.
Carbon impurities and the yellow luminescence in GaN. Appl. Phys. Lett.. 97:152108.. 2010.
Role of Si and Ge as impurities in ZnO. Phys. Rev. B. 80:205113.. 2009.
Effects of carbon on the electrical and optical properties of InN, GaN, and AlN. Physical Review B. 89:035204.. 2014.
Parallel processing of filtered queries in attributed semantic graphs. Journal of Parallel and Distributed Computing.. 2014.
A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. SIAM Conference on Data Mining (SDM). in press. 2012.