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.
Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.. 2014.
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.
Computational study of the dielectric properties of [La,Sc]2O3 solid solutions. Journal of Applied Physics. 107:74104.. 2010.
A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface. The Journal of Physical Chemistry B.. 2014.
Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.. 2014.
Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.. 2010.
Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.. 2010.
Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.. 2010.
Variational study of triangular lattice spin-1/2 model with ring exchanges and spin liquid state in kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 72:45105.. 2005.
Orbital magnetic field effects in spin liquid with spinon Fermi sea: Possible application to kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 73:155115.. 2006.
Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.. 2014.
Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.. 2014.
Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.. 2009.
Shear-Dominated Plastic Behavior of a Cross-ply Dyneema® Composite. Composites Part A: Applied Science and Manufacturing.. 2014.
Phonon-Assisted Optical Absorption in Silicon from First Principles. Phys. Rev. Lett.. 108:167402.. 2012.
Vacancy formation and CO adsorption on gold-doped ceria surfaces. Surface Science. 602:2734-2742.. 2008.
Phylotranscriptomics to Bring the Understudied into the Fold: Monophyletic Ostracoda, Fossil Placement and Pancrustacean Phylogeny. Molecular Biology and Evolution. 30(1):215.. 2013.
Osiris: accessible and reproducible phylogenetic and phylogenomic analyses within the Galaxy workflow management system. BMC bioinformatics. 15:230.. 2014.
Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.. 2010.
A micromechanical model for effective conductivity in granular electrode structures. Acta Mechanica Sinica. 29:682–698.. 2013.
The Performance of LDPC codes with Large Girth. Proc. 43rd Allerton Conference on Communication. Control and Computing:Univ.Illinois,Aug... 2005.