Publications
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. Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.
.
2014. A continuous Mott transition between a metal and a quantum spin liquid. arXiv preprint arXiv:1403.4258.
.
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. 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. .
2008.